Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
1001 |
EN300-19342_1_1
|
|
CN(CCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
7.8
± 0.2
|
1002 |
EN300-6277108_3_4
|
|
CO[C@H]([C@H]1CCCO1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1003 |
EN300-20668_1_1
|
|
COC(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.2
|
7.8
± 0.2
|
1004 |
EN300-69162_3_2
|
|
C[C@H](COC)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
7.8
± 0.2
|
1005 |
DAR-DIA-6a508060-9
|
|
c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 |
−10.7
± 0.2
|
7.8
± 0.2
|
1006 |
EN300-97904_1_1
|
|
CS(=O)(=O)CC1(CC1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.4
|
7.8
± 0.3
|
1007 |
EN300-755161_3_1
|
|
Cn1ncc(n1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1008 |
EN300-6744028_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]6C[C@@H]5[C@@H]([C@@H]6O)O |
−10.7
± 0.3
|
7.8
± 0.2
|
1009 |
KAD-UNI-8a629cb0-37
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5c(=O)c6ccnn6cn5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1010 |
EN300-313366_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C56CC[NH+](C5)CC6 |
−10.7
± 0.3
|
7.8
± 0.2
|
1011 |
EN300-341337_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]56CCO[C@@H]5CCOC6 |
−10.7
± 0.3
|
7.8
± 0.2
|
1012 |
EN300-1932013_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H](CC(F)(F)F)O |
−10.7
± 0.5
|
7.8
± 0.3
|
1013 |
EN300-315238_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@H](O5)C(=O)N |
−10.7
± 0.3
|
7.8
± 0.2
|
1014 |
EN300-195924_1_2
|
|
C[C@]1(CCC(=O)NC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.2
|
7.8
± 0.2
|
1015 |
VLA-UCB-34f3ed0c-20
|
|
c1ccc2c(c1)cncc2N(C(=O)c3c[nH]cn3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−10.7
± 0.3
|
7.8
± 0.2
|
1016 |
EN300-245264_3_2
|
|
CC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnc(n5)C#N |
−10.7
± 0.4
|
7.8
± 0.3
|
1017 |
EN300-6482967_2_1
|
|
CNS(=O)(=O)CCOC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
7.8
± 0.2
|
1018 |
EN300-10170_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CO)NC(=O)N |
−10.7
± 0.3
|
7.8
± 0.2
|
1019 |
EN300-124918_3_1
|
|
CN1C(=O)NC(N1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1020 |
EN300-7355519_1_6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5C[C@@H]6[C@H](O5)CCO6 |
−10.7
± 0.3
|
7.8
± 0.2
|
1021 |
EN300-6477724_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C[C@@H]5c6[nH]ncn6 |
−10.7
± 0.4
|
7.8
± 0.3
|
1022 |
EN300-685492_1_1
|
|
COCc1[nH]c(=O)c(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1023 |
EN300-20284_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H](C5)O |
−10.7
± 0.3
|
7.8
± 0.2
|
1024 |
EN300-6729572_3_8
|
|
C[C@H]([C@H]1C[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−10.7
± 0.3
|
7.8
± 0.2
|
1025 |
EN300-70489_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)C#N |
−10.7
± 0.2
|
7.8
± 0.2
|
1026 |
EN300-106540_1_2
|
|
C[C@H](CC(=O)OC)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
7.8
± 0.2
|
1027 |
EN300-102347_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC5(COC5)CO |
−10.7
± 0.3
|
7.8
± 0.2
|
1028 |
EN300-77092_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5OCCO5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1029 |
ED_-GRI-5b13fbe2-63
|
|
Cc1c(nnn1CCCCO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CN |
−10.7
± 0.5
|
7.8
± 0.3
|
1030 |
EN300-31148_1_2
|
|
CCC(=O)N[C@H](C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.2
|
7.8
± 0.2
|
1031 |
EN300-7445540_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(nn5)C6(COC6)O |
−10.7
± 0.3
|
7.8
± 0.2
|
1032 |
EN300-122656_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCSC5)O |
−10.7
± 0.4
|
7.8
± 0.3
|
1033 |
EDG-MED-90036822-18
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5ccnc5 |
−10.7
± 0.2
|
7.8
± 0.2
|
1034 |
EN300-185729_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCc6c(n[nH]n6)C5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1035 |
EN300-38979_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5ccnc5 |
−10.7
± 0.1
|
7.8
± 0.1
|
1036 |
EN300-77006_1_1
|
|
Cc1nc(on1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.5
|
7.8
± 0.3
|
1037 |
EN300-315792_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COCC(F)F |
−10.7
± 0.2
|
7.8
± 0.2
|
1038 |
EN300-6491117_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnco5 |
−10.7
± 0.2
|
7.8
± 0.2
|
1039 |
EN300-175506_1_1
|
|
Cc1c(c(nc(=O)[nH]1)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1040 |
EN300-341337_3_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]56CCO[C@H]5CCOC6 |
−10.7
± 0.3
|
7.8
± 0.2
|
1041 |
EN300-25960_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCCC5)O |
−10.7
± 0.3
|
7.8
± 0.2
|
1042 |
EN300-300217_3_1
|
|
C/C=C\[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−10.7
± 0.4
|
7.8
± 0.3
|
1043 |
KAD-UNI-80f122c8-5
|
|
CN(C1CCN(CC1)C(=O)CC2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−10.7
± 0.3
|
7.8
± 0.2
|
1044 |
EN300-29520_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn6c5nccc6 |
−10.7
± 0.2
|
7.8
± 0.2
|
1045 |
EN300-3710141_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCCO5)C#N |
−10.7
± 0.3
|
7.8
± 0.2
|
1046 |
EN300-129455_3_1
|
|
CCNC(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
7.8
± 0.2
|
1047 |
EN300-17381_3_1
|
|
C[C@@H](C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.2
|
7.8
± 0.1
|
1048 |
EN300-19926_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC#N |
−10.7
± 0.2
|
7.8
± 0.1
|
1049 |
EN300-224665_1_1
|
|
C[C@@]1(CN(CCOC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)CO |
−10.7
± 0.4
|
7.8
± 0.3
|
1050 |
EDG-MED-90036822-16
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](CF)O |
−10.7
± 0.2
|
7.8
± 0.2
|
1051 |
EN300-20496_3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCOC5=O |
−10.7
± 0.3
|
7.8
± 0.2
|
1052 |
EN300-1667084_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H](C5)C(=O)N |
−10.7
± 0.4
|
7.8
± 0.3
|
1053 |
EN300-178515_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCC(=O)N |
−10.7
± 0.2
|
7.8
± 0.2
|
1054 |
EN300-10170_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](CO)NC(=O)N |
−10.7
± 0.2
|
7.8
± 0.2
|
1055 |
EN300-863933_3_1
|
|
C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)N(C)C(=O)C |
−10.7
± 0.3
|
7.8
± 0.2
|
1056 |
EN300-1968342_3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H](CF)O |
−10.7
± 0.2
|
7.8
± 0.2
|
1057 |
VLA-UCB-34f3ed0c-4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccn[nH]5 |
−10.7
± 0.2
|
7.8
± 0.2
|
1058 |
EN300-248883_3_1
|
|
COC[C@@]1(CCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1059 |
ED_-GRI-5b13fbe2-7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cn(nn5)CC6CNCCO6 |
−10.7
± 0.3
|
7.8
± 0.2
|
1060 |
EN300-58880_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cn5)C(=O)N |
−10.7
± 0.2
|
7.8
± 0.2
|
1061 |
EN300-1717166_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC56CC(C6)O |
−10.7
± 0.3
|
7.8
± 0.2
|
1062 |
CHO-MSK-5891c1ff-6
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOCC5=O |
−10.7
± 0.3
|
7.8
± 0.2
|
1063 |
EN300-62448_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)C5CCC5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1064 |
EN300-211203_3_1
|
|
CC(C)[C@@]1(CC(=O)NC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1065 |
EN300-7435400_1_1
|
|
C[C@@H]1C[C@@H](CC(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1066 |
EN300-268087_1_1
|
|
CC(C)(C)n1nc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.2
|
7.8
± 0.2
|
1067 |
VLA-UCB-34f3ed0c-1_1
|
|
[CH2-]C(C#N)C(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−10.7
± 0.2
|
7.8
± 0.1
|
1068 |
EN300-7459545_3_1
|
|
C[NH+](C)C[C@@](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(F)(F)F)O |
−10.7
± 0.6
|
7.8
± 0.5
|
1069 |
EN300-125140_1_1
|
|
COCC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
7.8
± 0.2
|
1070 |
EN300-264744_3_2
|
|
CC(C)([C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O |
−10.7
± 0.3
|
7.8
± 0.2
|
1071 |
EN300-92790_1_1
|
|
Cn1ccc(n1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.2
|
7.8
± 0.2
|
1072 |
EN300-246992_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CCC(=O)NC5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1073 |
EN300-1073320_3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H](C5(CCC5)O)O |
−10.7
± 0.3
|
7.8
± 0.2
|
1074 |
EN300-153257_3_2
|
|
CC(C)[C@H](CO)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
7.8
± 0.2
|
1075 |
EN300-7456641_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c(nn5)CCOC6 |
−10.7
± 0.3
|
7.8
± 0.2
|
1076 |
EN300-6499531_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCCCS5(=O)=O |
−10.7
± 0.3
|
7.8
± 0.2
|
1077 |
EN300-34636_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc(=O)[nH]5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1078 |
EN300-139167_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5COCCO5 |
−10.7
± 0.2
|
7.8
± 0.1
|
1079 |
EN300-173006_1_2
|
|
C[C@H](c1nnnn1C)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.2
|
7.8
± 0.2
|
1080 |
DAR-DIA-0d514e7d-4
|
|
C[C@H]1COc2c(cc(cc2OC3CCCC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.2
|
7.8
± 0.2
|
1081 |
EN300-79536_1_1
|
|
C=CCN(CCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
7.8
± 0.2
|
1082 |
EN300-302058_1_1
|
|
CON1CC[C@@H](C1=O)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.3
|
7.8
± 0.2
|
1083 |
EN300-52325_1_1
|
|
CCCS(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
7.8
± 0.2
|
1084 |
EN300-316196_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)[C@@H]6CC[C@H]6O |
−10.7
± 0.3
|
7.8
± 0.2
|
1085 |
EN300-176877_1_1
|
|
CN(C)C(=O)CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−10.7
± 0.3
|
7.8
± 0.2
|
1086 |
EN300-10334_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]56CCC(=O)N5CCS6 |
−10.7
± 0.3
|
7.8
± 0.2
|
1087 |
EN300-98099_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cs5)S(=O)(=O)N |
−10.7
± 0.2
|
7.8
± 0.2
|
1088 |
EN300-6277108_3_1
|
|
CO[C@@H]([C@@H]1CCCO1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.7
± 0.4
|
7.8
± 0.3
|
1089 |
EN300-248526_1_1
|
|
c1ccc(cc1)[C@@](CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(C(=O)N)O |
−10.7
± 0.3
|
7.8
± 0.2
|
1090 |
EN300-260418_1_1
|
|
Cn1c(nc(n1)C2CC2)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−10.7
± 0.3
|
7.8
± 0.2
|
1091 |
EN300-146174_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)CO |
−10.7
± 0.3
|
7.8
± 0.2
|
1092 |
EN300-191904_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5cnnn5 |
−10.6
± 0.3
|
7.8
± 0.2
|
1093 |
EN300-300217_3_3
|
|
C/C=C\[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−10.6
± 0.3
|
7.8
± 0.2
|
1094 |
EN300-317555_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5=NCCO5 |
−10.6
± 0.2
|
7.8
± 0.2
|
1095 |
EN300-1073264_3_1
|
|
Cn1cc(nn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.6
± 0.3
|
7.8
± 0.2
|
1096 |
EN300-6277108_1_3
|
|
CO[C@@H]([C@H]1CCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.6
± 0.3
|
7.8
± 0.2
|
1097 |
EN300-142957_1_1
|
|
Cn1cc(c(n1)OC)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−10.6
± 0.2
|
7.8
± 0.2
|
1098 |
EN300-36522_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)C5CC5 |
−10.6
± 0.3
|
7.8
± 0.2
|
1099 |
EN300-317555_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5=NCCO5 |
−10.6
± 0.2
|
7.8
± 0.2
|
1100 |
EN300-184266_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)N5 |
−10.6
± 0.2
|
7.8
± 0.1
|