zincid
stringlengths 8
16
| smiles
stringlengths 9
107
| dockscore
float64 -118.83
39.4
| id
stringlengths 12
12
| scaffold
stringlengths 5
102
⌀ | mwt
float64 249
349
| clogp
float64 -5.12
4.16
| tpsa
float64 0
234
|
|---|---|---|---|---|---|---|---|
ZINC000004341767 | CCOC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1C | -43.74 | SCB-10400834 | c1ccc(-n2ncc3cncnc32)cc1 | 342.115047 | 3.08754 | 69.9 |
ZINC000004341766 | COC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1C | -33.49 | SCB-11322750 | c1ccc(-n2ncc3cncnc32)cc1 | 328.099397 | 2.69744 | 69.9 |
ZINC000304302357 | Cc1cccc(CNC(=O)NCc2ccccc2OCCO)c1 | -28.35 | SCB-58152587 | O=C(NCc1ccccc1)NCc1ccccc1 | 314.163043 | 2.36552 | 70.59 |
ZINC000549695308 | COc1cc(C)c(S(=O)(=O)N2CCCO[C@@H](C(C)C)C2)c(C)c1 | -26.2 | SCB-34835446 | O=S(=O)(c1ccccc1)N1CCCOCC1 | 341.166079 | 2.74764 | 55.84 |
ZINC000272215505 | CC(C)CCCN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O | -36.99 | SCB-62588954 | O=C1NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1 | 313.179027 | 3.067 | 65.2 |
ZINC000181851631 | Cc1ccc(CCCN2CCO[C@H](Cn3nc(C)cc3C)C2)cc1 | -39.01 | SCB-96771014 | c1ccc(CCCN2CCO[C@H](Cn3cccn3)C2)cc1 | 327.231063 | 3.14196 | 30.29 |
ZINC000292191798 | C#Cc1ccccc1CC(=O)N1CC[C@H](C)C[C@H]1C(=O)OC | -27.36 | SCB-62255786 | O=C(Cc1ccccc1)N1CCCCC1 | 299.152144 | 2.0105 | 46.61 |
ZINC000116535519 | CCN1CCC[C@H](NC(=O)NCCc2ccc(C)cc2)C1 | -21.14 | SCB-56499619 | O=C(NCCc1ccccc1)N[C@H]1CCCNC1 | 289.215412 | 2.32102 | 44.37 |
ZINC000370830407 | CN1CCC(N2CC[C@@H](N(C)C(=O)Cc3ccccc3Cl)C2)CC1 | -22.57 | SCB-96153158 | O=C(Cc1ccccc1)N[C@@H]1CCN(C2CCNCC2)C1 | 349.19209 | 2.5094 | 26.79 |
ZINC000370830406 | CN1CCC(N2CC[C@H](N(C)C(=O)Cc3ccccc3Cl)C2)CC1 | -21.37 | SCB-80683320 | O=C(Cc1ccccc1)N[C@H]1CCN(C2CCNCC2)C1 | 349.19209 | 2.5094 | 26.79 |
ZINC000292191791 | N#Cc1ccc(O[C@@H]2CCN(CC3CCOCC3)C2)nc1 | -22.15 | SCB-17919899 | c1ccc(O[C@@H]2CCN(CC3CCOCC3)C2)nc1 | 287.163377 | 1.83298 | 58.38 |
ZINC000563460689 | COc1ccc(CN2CCC([C@H]3OCCC[C@@H]3N)CC2)cc1O | -11.52 | SCB-36373770 | c1ccc(CN2CCC([C@@H]3CCCCO3)CC2)cc1 | 320.209993 | 2.1191 | 67.95 |
ZINC000428040827 | C=C[C@@H]1CCCCN1C(=O)CNS(=O)(=O)c1cnn(C)c1 | -39.11 | SCB-11118721 | O=C(CNS(=O)(=O)c1cn[nH]c1)N1CCCCC1 | 312.125612 | 0.2655 | 84.3 |
ZINC000176818472 | CC(C)c1noc(CCC(=O)N2CCO[C@@H](c3ccco3)C2)n1 | -39.13 | SCB-31034687 | O=C(CCc1ncno1)N1CCO[C@@H](c2ccco2)C1 | 319.153206 | 2.3187 | 81.6 |
ZINC000569309130 | O=C(Cc1ccc(Br)s1)N[C@@H]1C[C@H]1CO | -39.5 | SCB-83262998 | O=C(Cc1cccs1)NC1CC1 | 288.977212 | 1.5501 | 49.33 |
ZINC000569309137 | O=C(N[C@@H]1C[C@H]1CO)c1ccc(Br)c(Cl)c1F | -31.55 | SCB-47327090 | O=C(NC1CC1)c1ccccc1 | 320.956747 | 2.3522 | 49.33 |
ZINC000440592482 | CC(C)(C)CSC[C@@H]1CCCN(S(C)(=O)=O)C1 | -21.79 | SCB-26246734 | C1CCNCC1 | 279.132671 | 2.4373 | 37.38 |
ZINC000440592483 | Cc1cc(NC(=O)CCSCCC(=O)OC(C)(C)C)no1 | -42.45 | SCB-11162735 | c1cnoc1 | 314.130028 | 2.77662 | 81.43 |
ZINC000569309138 | CCC(CC)(CNC(=O)N[C@@H]1C[C@H]1CO)c1ccccc1 | -29.53 | SCB-39722974 | O=C(NCCc1ccccc1)NC1CC1 | 290.199428 | 2.4244 | 61.36 |
ZINC000440592481 | CC[C@H](F)CSc1nnc(C)n1CC(=O)N(C)C | -39.32 | SCB-45214104 | c1nnc[nH]1 | 274.12636 | 1.51492 | 51.02 |
ZINC000440592486 | COC(=O)CC1(Cn2[nH]c(SC)nc2=O)CC1 | -70.72 | SCB-11410718 | O=c1nc[nH]n1CC1CC1 | 257.083412 | 0.6366 | 76.98 |
ZINC000440592485 | CC(C)(C)CSC[C@H]1CCCN(S(C)(=O)=O)C1 | -19.62 | SCB-86000623 | C1CCNCC1 | 279.132671 | 2.4373 | 37.38 |
ZINC000349661577 | CC[C@@H](C)N(CC(=O)OC)S(=O)(=O)CCC(C)(C)C#N | -15.06 | SCB-97805066 | null | 304.145678 | 1.52958 | 87.47 |
ZINC000418871932 | CC[C@@H](NC(=O)C(=O)NC[C@H](N)C1CC1)c1ccc(C)cc1 | -16.76 | SCB-93604508 | O=C(NCCC1CC1)C(=O)NCc1ccccc1 | 303.194677 | 1.41582 | 84.22 |
ZINC000133605121 | CCCNC(=O)c1cccc(NC(=O)N2CC(C(=O)NCC)C2)c1 | -35.15 | SCB-15128271 | O=C(Nc1ccccc1)N1CCC1 | 332.184841 | 1.4262 | 90.54 |
ZINC000375658960 | CCc1nc([C@H]2CCCN2C(=O)[C@H](C)N(C)CC(F)(F)F)no1 | -23.34 | SCB-72047810 | c1nc([C@H]2CCCN2)no1 | 334.161661 | 2.1781 | 62.47 |
ZINC000331341397 | CC[C@H](NC(=O)c1ccnc(S(C)(=O)=O)n1)[C@@H]1CCCO1 | -27.51 | SCB-50633195 | O=C(NC[C@@H]1CCCO1)c1ccncn1 | 313.109627 | 0.5675 | 98.25 |
ZINC000331341396 | CC[C@@H](NC(=O)c1ccnc(S(C)(=O)=O)n1)[C@H]1CCCO1 | -29.53 | SCB-44928889 | O=C(NC[C@H]1CCCO1)c1ccncn1 | 313.109627 | 0.5675 | 98.25 |
ZINC000331341395 | CC[C@@H](NC(=O)c1ccnc(S(C)(=O)=O)n1)[C@@H]1CCCO1 | -25.55 | SCB-27915857 | O=C(NC[C@@H]1CCCO1)c1ccncn1 | 313.109627 | 0.5675 | 98.25 |
ZINC000331341394 | CC[C@H](NC(=O)c1ccnc(S(C)(=O)=O)n1)[C@H]1CCCO1 | -29.82 | SCB-11124002 | O=C(NC[C@H]1CCCO1)c1ccncn1 | 313.109627 | 0.5675 | 98.25 |
ZINC000567737126 | O=C1CCc2ccc(OCCCC(=O)N[C@H]3CCC[C@@H](F)C3)cc2N1 | -25.89 | SCB-21248999 | O=C1CCc2ccc(OCCCC(=O)NC3CCCCC3)cc2N1 | 348.184921 | 3.1272 | 67.43 |
ZINC000373028442 | COC(=O)c1cccc(NC(=O)[C@H]2NC(=O)C[C@H]2C(F)(F)F)c1 | -30.13 | SCB-19797754 | O=C1CC[C@@H](C(=O)Nc2ccccc2)N1 | 330.082742 | 1.4787 | 84.5 |
ZINC000567737124 | O=C1CC[C@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1 | -33.28 | SCB-85896357 | O=C1CC[C@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1 | 306.194343 | 1.6067 | 57.69 |
ZINC000567737125 | O=C1CC[C@@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1 | -35.82 | SCB-52571226 | O=C1CC[C@@H](C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1 | 306.194343 | 1.6067 | 57.69 |
ZINC000549695307 | COc1cc(C)c(S(=O)(=O)N2CCCO[C@H](C(C)C)C2)c(C)c1 | -26.37 | SCB-19310185 | O=S(=O)(c1ccccc1)N1CCCOCC1 | 341.166079 | 2.74764 | 55.84 |
ZINC000567737128 | O=C1CCc2ccc(OCCCC(=O)N[C@@H]3CCC[C@@H](F)C3)cc2N1 | -29.99 | SCB-29135892 | O=C1CCc2ccc(OCCCC(=O)NC3CCCCC3)cc2N1 | 348.184921 | 3.1272 | 67.43 |
ZINC000567737129 | O=C1CCc2ccc(OCCCC(=O)N[C@@H]3CCC[C@H](F)C3)cc2N1 | -27.49 | SCB-87548919 | O=C1CCc2ccc(OCCCC(=O)NC3CCCCC3)cc2N1 | 348.184921 | 3.1272 | 67.43 |
ZINC000067828683 | CC(=O)N[C@@H](C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1)C1CCCC1 | -21.29 | SCB-53625269 | O=C(CC1CCCC1)N1CCO[C@H](c2ccccc2)C1 | 344.209993 | 2.6699 | 58.64 |
ZINC000067828681 | CC(=O)N[C@@H](C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1)C1CCCC1 | -19.91 | SCB-10437356 | O=C(CC1CCCC1)N1CCO[C@@H](c2ccccc2)C1 | 344.209993 | 2.6699 | 58.64 |
ZINC000067828687 | CC[C@H](C)N(C)C(=O)c1cn(CC(=O)N(C)C)nn1 | -38.23 | SCB-37921080 | c1c[nH]nn1 | 267.169525 | 0.2368 | 71.33 |
ZINC000178568028 | CNCCCC(=O)NCCc1ccc(Cl)nc1 | -25.05 | SCB-61992821 | c1ccncc1 | 255.11384 | 1.3933 | 54.02 |
ZINC000356259763 | CCOCc1ccc(NC(=O)[C@@H](O)Cc2ccccc2)cc1 | -39.32 | SCB-80375968 | O=C(CCc1ccccc1)Nc1ccccc1 | 299.152144 | 2.7652 | 58.56 |
ZINC000356259762 | CCOc1ncccc1-c1noc(-c2cnn3ccccc23)n1 | -32.35 | SCB-89210743 | c1cncc(-c2noc(-c3cnn4ccccc34)n2)c1 | 307.106925 | 2.845 | 78.34 |
ZINC000530083544 | CO[C@](C)(C(=O)N1CCc2cccc(C(F)(F)F)c2C1)C1CC1 | -34.87 | SCB-70223631 | O=C(CC1CC1)N1CCc2ccccc2C1 | 327.144614 | 3.4052 | 29.54 |
ZINC000178568024 | Cc1noc([C@H](C)N2CCN(C(=O)c3nc(C)sc3C)CC2)n1 | -41.79 | SCB-19965801 | O=C(c1cscn1)N1CCN(Cc2ncno2)CC1 | 335.141596 | 1.97036 | 75.36 |
ZINC000067828688 | CC(=O)N[C@@H](C(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1)C1CCCC1 | -24.3 | SCB-79330139 | O=C(CC1CCCC1)N1CCO[C@H](c2ccccc2)C1 | 344.209993 | 2.6699 | 58.64 |
ZINC000356259769 | CCOc1ccc(-c2noc(-c3ccc(CC)nc3C)n2)cn1 | -35.65 | SCB-68861571 | c1cncc(-c2noc(-c3cccnc3)n2)c1 | 310.142976 | 3.46312 | 73.93 |
ZINC000356259768 | CCOc1ncccc1-c1noc(-c2cc(C(C)C)nn2C)n1 | -33.59 | SCB-24269617 | c1cncc(-c2noc(-c3ccn[nH]3)n2)c1 | 313.153875 | 3.0542 | 78.86 |
ZINC000280956342 | CC[C@@H](C)NC(=O)[C@H](C)Nc1cn(C)nc1C(C)C | -28.9 | SCB-76443065 | c1cn[nH]c1 | 266.210661 | 2.2586 | 58.95 |
ZINC000490170686 | CN(Cc1ncnn1CC(F)F)C[C@H](O)C1CCCCC1 | -29.25 | SCB-80705693 | c1n[nH]c(CNCCC2CCCCC2)n1 | 302.191818 | 1.9162 | 54.18 |
ZINC000490170685 | CN(Cc1ncnn1CC(F)F)C[C@@H](O)C1CCCCC1 | -32.39 | SCB-13226353 | c1n[nH]c(CNCCC2CCCCC2)n1 | 302.191818 | 1.9162 | 54.18 |
ZINC000280956341 | CC(C)N1C[C@H](NCCCc2ccc3c(c2)CCO3)CC1=O | -15.21 | SCB-58255071 | O=C1C[C@@H](NCCCc2ccc3c(c2)CCO3)CN1 | 302.199428 | 2.153 | 41.57 |
ZINC000273673036 | O=C(NC1CC1)N[C@H]1CCN(C(=O)[C@@H](O)CCc2ccccc2)C1 | -43.06 | SCB-10143244 | O=C(NC1CC1)N[C@H]1CCN(C(=O)CCCc2ccccc2)C1 | 331.189592 | 1.0426 | 81.67 |
ZINC000416876839 | CC(C)(C)c1cnc(NC(=O)N2CCCO[C@@H](CF)C2)s1 | -27.61 | SCB-21964104 | O=C(Nc1nccs1)N1CCCOCC1 | 315.141676 | 3.0329 | 54.46 |
ZINC000416876838 | CC1CCN(CCCNC(=O)N2CCC([C@H]3CCNC3)CC2)CC1 | -14.71 | SCB-78761282 | O=C(NCCCN1CCCCC1)N1CCC([C@H]2CCNC2)CC1 | 336.288912 | 2.1395 | 47.61 |
ZINC000416876837 | CN[C@@H]1CCN(C(=O)NCCCn2c(C)nc3ccccc32)C1 | -31.83 | SCB-87942947 | O=C(NCCCn1cnc2ccccc21)N1CCCC1 | 315.20591 | 1.73812 | 62.19 |
ZINC000280956347 | Cc1cccc(CCN[C@@H](c2cccnc2)C2CCC2)n1 | -18.43 | SCB-98907426 | c1ccc(CCN[C@@H](c2cccnc2)C2CCC2)nc1 | 281.189198 | 3.45852 | 37.81 |
ZINC000416876834 | CN[C@H]1CCN(C(=O)NCCCn2c(C)nc3ccccc32)C1 | -32.71 | SCB-19819234 | O=C(NCCCn1cnc2ccccc21)N1CCCC1 | 315.20591 | 1.73812 | 62.19 |
ZINC000043677597 | OCC[C@H]1CCCCN1Cc1ccc(Br)s1 | -19.63 | SCB-51444163 | c1csc(CN2CCCCC2)c1 | 303.029247 | 3.2475 | 23.47 |
ZINC000043677595 | Brc1ccc(CN2CCCCC2)s1 | -22.25 | SCB-41618486 | c1csc(CN2CCCCC2)c1 | 259.003033 | 3.4965 | 3.24 |
ZINC000569577563 | COC(=O)Cn1cnc(NS(=O)(=O)C[C@@H](OC)C2CC2)n1 | -32.73 | SCB-13975556 | O=S(=O)(CCC1CC1)Nc1nc[nH]n1 | 318.099791 | -0.3822 | 112.41 |
ZINC000043677599 | OCC[C@@H]1CCCCN1Cc1ccc(Br)s1 | -25.96 | SCB-43344746 | c1csc(CN2CCCCC2)c1 | 303.029247 | 3.2475 | 23.47 |
ZINC000280531051 | CCONC(=O)[C@@H]1CC(=O)N(c2cccc(SC)c2)C1 | -57.83 | SCB-86703086 | O=C1CCCN1c1ccccc1 | 294.103813 | 1.8291 | 58.64 |
ZINC000275198476 | CCc1cnc(CNC(=O)/C=C(\C)c2ccc(F)cc2)o1 | -41.94 | SCB-42995379 | O=C(C=Cc1ccccc1)NCc1ncco1 | 288.127406 | 3.0958 | 55.13 |
ZINC000504955549 | OCCc1ccccc1OCc1coc(-c2ccccc2)n1 | -38.85 | SCB-61035351 | c1ccc(OCc2coc(-c3ccccc3)n2)cc1 | 295.120843 | 3.4554 | 55.49 |
ZINC000162339539 | CC(C)C[C@H](CN[C@@H](C)c1cscn1)N1CCOCC1 | -25.48 | SCB-83075754 | c1nc(CNCCN2CCOCC2)cs1 | 297.187483 | 2.5406 | 37.39 |
ZINC000022330598 | CN(C)c1ccc(C(=O)N2CCO[C@H](Cc3ccccc3)C2)cc1 | -30.17 | SCB-32627777 | O=C(c1ccccc1)N1CCO[C@H](Cc2ccccc2)C1 | 324.183778 | 2.8363 | 32.78 |
ZINC000453391501 | C[C@@H](NC[C@]1(C)CCC(=O)N1)c1ccc2c(c1)OCCO2 | -12.58 | SCB-11459259 | O=C1CCC(CNCc2ccc3c(c2)OCCO3)N1 | 290.163043 | 1.7771 | 59.59 |
ZINC000022330594 | CN(C)c1ccc(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)cc1 | -28.19 | SCB-92779746 | O=C(c1ccccc1)N1CCO[C@@H](Cc2ccccc2)C1 | 324.183778 | 2.8363 | 32.78 |
ZINC000530083543 | Cc1nonc1CC(=O)N1CCc2cccc(C(F)(F)F)c2C1 | -34.55 | SCB-37455247 | O=C(Cc1cnon1)N1CCc2ccccc2C1 | 325.103811 | 2.52422 | 59.23 |
ZINC000453391504 | C[C@H](NC[C@@]1(C)CCC(=O)N1)c1ccc2c(c1)OCCO2 | -16.94 | SCB-10023186 | O=C1CCC(CNCc2ccc3c(c2)OCCO3)N1 | 290.163043 | 1.7771 | 59.59 |
ZINC000079478084 | C[C@]1(C(=O)O)CCCN1C(=O)COc1ccc(Br)cc1 | -50.86 | SCB-21052020 | O=C(COc1ccccc1)N1CCCC1 | 341.02627 | 2.2936 | 66.84 |
ZINC000298777181 | COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(C)n[nH]1 | -26.51 | SCB-45806952 | O=C(N[C@@H]1CCCc2ccccc21)c1ccn[nH]1 | 285.147727 | 2.53412 | 67.01 |
ZINC000417163417 | CNC[C@H]1CCN(C(=O)N[C@@H](C)Cc2ccccc2C)C1 | -24.96 | SCB-21313714 | O=C(NCCc1ccccc1)N1CCCC1 | 289.215412 | 2.17692 | 44.37 |
ZINC000298777187 | CCCCN1CC(=O)N[C@@H]1c1ccc(Cl)s1 | -30.82 | SCB-22401818 | O=C1CN[C@@H](c2cccs2)N1 | 258.059362 | 2.632 | 32.34 |
ZINC000298777186 | CCCCN1CC(=O)N[C@H]1c1ccc(Cl)s1 | -31.49 | SCB-11393819 | O=C1CN[C@H](c2cccs2)N1 | 258.059362 | 2.632 | 32.34 |
ZINC000298777188 | CC(C)[C@@H](C)N(C)CC(=O)NCCOc1ccc2c(c1)OCO2 | -31.45 | SCB-83035483 | c1ccc2c(c1)OCO2 | 322.189257 | 1.8866 | 60.03 |
ZINC000413388720 | O=C(N[C@H]1CCN(c2ccccc2)C1)[C@]1(O)CCOC1 | -31.51 | SCB-55760934 | O=C(N[C@H]1CCN(c2ccccc2)C1)C1CCOC1 | 276.147393 | 0.5329 | 61.8 |
ZINC000128635828 | CN(C)c1ccccc1N(C)C(=O)C[C@H]1OC(=O)c2ccccc21 | -32.63 | SCB-52924673 | O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccccc1 | 324.147393 | 3.0172 | 49.85 |
ZINC000448112543 | COC(=O)[C@@H](C)CS(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C | -24.52 | SCB-53955216 | null | 336.135507 | -0.7588 | 118.64 |
ZINC000448112542 | COC(=O)[C@H](C)CS(=O)(=O)CC(=O)NCC(=O)NC(C)(C)C | -26.56 | SCB-91162173 | null | 336.135507 | -0.7588 | 118.64 |
ZINC000000616395 | CC(=O)c1cc2c(cc1NC(=O)CSc1ccccn1)OCO2 | -34.73 | SCB-57626023 | O=C(CSc1ccccn1)Nc1ccc2c(c1)OCO2 | 330.067428 | 2.7437 | 77.52 |
ZINC000124187991 | CC[C@@H](O)CCNCc1cc(OC)c(OC)cc1SC | -11.77 | SCB-31076550 | c1ccccc1 | 299.155515 | 2.6763 | 50.72 |
ZINC000575182606 | CNC(=O)C[C@@H](NC(=O)Cc1cn(C)c2ccccc12)c1ccccc1 | -34.15 | SCB-82073848 | O=C(Cc1c[nH]c2ccccc12)NCc1ccccc1 | 349.179027 | 2.7144 | 63.13 |
ZINC000575182607 | CNC(=O)C[C@H](NC(=O)Cc1cn(C)c2ccccc12)c1ccccc1 | -30.11 | SCB-36275066 | O=C(Cc1c[nH]c2ccccc12)NCc1ccccc1 | 349.179027 | 2.7144 | 63.13 |
ZINC000298988202 | CCC1CCN(C(=O)C(=O)Nc2ccc(NC(C)=O)c(OC)c2)CC1 | -33.83 | SCB-60705379 | O=C(Nc1ccccc1)C(=O)N1CCCCC1 | 347.184506 | 2.2407 | 87.74 |
ZINC000195020293 | Cc1cc(C(=O)NCc2nccn2C(F)F)c2c(C)noc2n1 | -39.48 | SCB-69185615 | O=C(NCc1ncc[nH]1)c1ccnc2oncc12 | 321.103731 | 2.36124 | 85.84 |
ZINC000298988201 | CC(C)[C@H](C)N(C)C(=O)C(=O)Nc1ccc2c(c1)OCO2 | -28.42 | SCB-23428605 | c1ccc2c(c1)OCO2 | 292.142307 | 1.8567 | 67.87 |
ZINC000337793608 | COc1cc(C)c(CNCCc2nnnn2-c2ccccc2)c(C)n1 | -25.77 | SCB-23704143 | c1ccc(-n2nnnc2CCNCc2cccnc2)cc1 | 338.185509 | 2.01504 | 77.75 |
ZINC000337793609 | COC[C@@H]1CCN(C(=O)N(C)Cc2cccnc2)C1 | -28.46 | SCB-75105886 | O=C(NCc1cccnc1)N1CCCC1 | 263.163377 | 1.6017 | 45.67 |
ZINC000298988204 | CC(C)[C@@H](C)N(C)C(=O)C(=O)Nc1ccc2c(c1)OCO2 | -34.41 | SCB-94917223 | c1ccc2c(c1)OCO2 | 292.142307 | 1.8567 | 67.87 |
ZINC000298988205 | Cc1ccccc1CCNC(=O)N(C)C[C@@H]1CCCCO1 | -27.68 | SCB-47838897 | O=C(NCCc1ccccc1)NC[C@@H]1CCCCO1 | 290.199428 | 2.74802 | 41.57 |
ZINC000337793604 | Cc1cnc(CCN(C)C(=O)[C@H]2C[C@@H]2C(F)F)s1 | -28.54 | SCB-40558849 | O=C(NCCc1nccs1)C1CC1 | 274.095141 | 2.35362 | 33.2 |
ZINC000298988208 | Cc1ccccc1CCNC(=O)N(C)C[C@H]1CCCCO1 | -29.89 | SCB-75982833 | O=C(NCCc1ccccc1)NC[C@H]1CCCCO1 | 290.199428 | 2.74802 | 41.57 |
ZINC000195020299 | COCOc1ccc(OC)cc1CNc1nnc(-c2cnn(C)c2)o1 | -41.07 | SCB-39677244 | c1ccc(CNc2nnc(-c3cn[nH]c3)o2)cc1 | 345.143704 | 2.0735 | 96.46 |
ZINC000337793603 | Cc1cnc(CCN(C)C(=O)[C@@H]2C[C@@H]2C(F)F)s1 | -32.28 | SCB-52725021 | O=C(NCCc1nccs1)C1CC1 | 274.095141 | 2.35362 | 33.2 |
ZINC000348980929 | CC[C@@H]1CN(C(=O)CCc2ccc(C#N)cc2)[C@@H](CC)CN1C(C)=O | -27.56 | SCB-33693220 | O=C(CCc1ccccc1)N1CCNCC1 | 341.210327 | 2.73878 | 64.41 |
ZINC000348980928 | CC(C)Cc1ncc(NC(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)cn1 | -36.59 | SCB-43103532 | O=C(Nc1cncnc1)N1C[C@H]2CCC[C@H]2C1 | 304.189926 | 1.9097 | 78.35 |
ZINC000282981711 | C=CCN(CCc1ccccc1)C(=O)[C@H](C)CC(N)=O | -25.12 | SCB-60374617 | c1ccccc1 | 274.168128 | 1.7552 | 63.4 |
ZINC000348980921 | CC(C)Cc1ncc(NC(=O)NC[C@H]2CC=CCC2)cn1 | -32.51 | SCB-23576693 | O=C(NC[C@H]1CC=CCC1)Nc1cncnc1 | 288.195011 | 3.1529 | 66.91 |