Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
3701 |
EN300-208204_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H](CO)C(=O)N |
−9.0
± 0.3
|
6.6
± 0.2
|
3702 |
MAT-POS-de59a476-2
|
|
COC(c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 |
−9.0
± 0.2
|
6.6
± 0.2
|
3703 |
EN300-259849_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCC[C@@H](C5=O)O |
−9.0
± 0.4
|
6.6
± 0.3
|
3704 |
RAL-THA-1d44ff04-12
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)Oc4ccc[nH]c4=O |
−9.0
± 0.5
|
6.6
± 0.3
|
3705 |
EN300-90531_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCC[C@@H]5C(=O)N |
−9.0
± 0.4
|
6.6
± 0.3
|
3706 |
EN300-6744028_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5C[C@H]6C[C@@H]5[C@@H]([C@@H]6O)O |
−9.0
± 0.3
|
6.6
± 0.2
|
3707 |
EN300-1073264_4_1
|
|
Cn1cc(nn1)CC(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.4
|
6.6
± 0.3
|
3708 |
ALP-UNI-3496895b-4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CCN(C5=O)c6ccn[nH]6 |
−9.0
± 0.3
|
6.6
± 0.2
|
3709 |
EN300-650518_3_1
|
|
CO[C@@H]1C[C@H]1C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.2
|
6.6
± 0.2
|
3710 |
EN300-7465222_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5C[C@H]5N(=O)=O |
−9.0
± 0.2
|
6.6
± 0.1
|
3711 |
EN300-7443878_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H](C5CCOCC5)O |
−9.0
± 0.4
|
6.6
± 0.3
|
3712 |
EN300-1238839_1_1
|
|
CS(=O)(=O)NCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.0
± 0.2
|
6.6
± 0.1
|
3713 |
EN300-244842_1_1
|
|
C[C@@H]1CN(C[C@H]1C(=O)N)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.3
|
6.6
± 0.2
|
3714 |
EN300-207765_1_2
|
|
CN1[C@H](CCC1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.2
|
6.6
± 0.1
|
3715 |
EN300-85707_1_1
|
|
COC[C@@H]1CN(CCO1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.4
|
6.6
± 0.3
|
3716 |
EDG-MED-0e5afe9d-3
|
|
COC1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.0
± 0.1
|
6.57
± 0.08
|
3717 |
EDJ-MED-ee07cf00-4
|
|
CC(C(=O)NC(c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)NC(=O)C4CCC4 |
−9.0
± 0.4
|
6.6
± 0.3
|
3718 |
EN300-1688974_2_2
|
|
C[C@H](CC(=O)N)N(C)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.0
± 0.3
|
6.6
± 0.2
|
3719 |
ALP-UNI-0676e700-15
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6nncn6nc5 |
−9.0
± 0.3
|
6.6
± 0.2
|
3720 |
EN300-31184_3_1
|
|
C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C(C)C |
−9.0
± 0.3
|
6.6
± 0.2
|
3721 |
EN300-208993_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)N6CCNC6=O |
−9.0
± 0.3
|
6.6
± 0.2
|
3722 |
EN300-94945_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCNC5=O |
−9.0
± 0.2
|
6.6
± 0.2
|
3723 |
EN300-1699100_2_1
|
|
CN(c1[nH]ncn1)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.2
|
6.6
± 0.2
|
3724 |
EN300-159633_2_1
|
|
C[C@@](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(C(F)(F)F)O |
−9.0
± 0.2
|
6.6
± 0.1
|
3725 |
EN300-36089_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CNC(=O)c5ccncc5 |
−9.0
± 0.3
|
6.6
± 0.2
|
3726 |
EN300-151423_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC5(CCOCC5)O |
−9.0
± 0.4
|
6.6
± 0.3
|
3727 |
EN300-301925_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCCOC5)C#N |
−9.0
± 0.2
|
6.6
± 0.2
|
3728 |
EN300-1272529_1_1
|
|
CN(C)C(=O)OC1CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.3
|
6.6
± 0.2
|
3729 |
EN300-108430_1_1
|
|
C[C@@H](CNC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)CO |
−9.0
± 0.2
|
6.6
± 0.2
|
3730 |
EN300-202922_3_4
|
|
C[C@H]([C@](C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O |
−9.0
± 0.3
|
6.6
± 0.2
|
3731 |
EN300-6736413_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5CCNC5=O |
−9.0
± 0.2
|
6.6
± 0.2
|
3732 |
MIC-UNK-c66144cb-2
|
|
c1ccc2c(c1)cncc2NC(=O)C(CCc3ccc(cc3)F)c4cccc(c4)Cl |
−9.0
± 0.3
|
6.6
± 0.2
|
3733 |
EN300-56202_4_1
|
|
CC(=O)N1CSC[C@@H]1C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.4
|
6.6
± 0.3
|
3734 |
EN300-134536_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ccnn5CCO |
−9.0
± 0.3
|
6.6
± 0.2
|
3735 |
MAK-UNK-83e0a0b4-1
|
|
CCCCc1ccc2c(c1)C(CCO2)C(=O)N(CCNC3CNC3)c4cncc5c4ccc(c5)CN6CCNCC6 |
−9.0
± 0.7
|
6.6
± 0.5
|
3736 |
EDG-MED-ba1ac7b9-22
|
|
c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5Cc6c([nH]cn6)CC5C(=O)N |
−9.0
± 0.3
|
6.6
± 0.2
|
3737 |
EN300-193679_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@]5(CCCOC5)O |
−9.0
± 0.3
|
6.6
± 0.2
|
3738 |
EDJ-MED-12f7f543-1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cn4)Cl |
−9.0
± 0.2
|
6.6
± 0.2
|
3739 |
EN300-259849_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCC[C@@H](C5=O)O |
−9.0
± 0.4
|
6.6
± 0.3
|
3740 |
EN300-19709_1_2
|
|
CC[C@H](CO)NC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.0
± 0.4
|
6.6
± 0.3
|
3741 |
EN300-205047_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6c(c[nH]5)S(=O)(=O)CC6 |
−9.0
± 0.3
|
6.6
± 0.2
|
3742 |
MAT-POS-8a69d52e-1_3
|
|
C[C@@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.01
± 0.05
|
6.56
± 0.04
|
3743 |
EDJ-MED-50011917-3
|
|
COc1c(cc(cc1CC(=O)Nc2cncc3c2cccc3)Cl)CC4CC(=O)N4 |
−9.0
± 0.3
|
6.6
± 0.2
|
3744 |
RAL-THA-05e671eb-31
|
|
c1ccc2c(c1)cncc2NC(=O)C3CCOc4c3c(c(cc4)Cl)C#N |
−9.0
± 0.1
|
6.56
± 0.08
|
3745 |
EN300-261986_4_2
|
|
CS(=O)(=O)[N@]1CC[C@H](C1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.4
|
6.6
± 0.3
|
3746 |
EN300-99983_4_1
|
|
CNC(=O)Cc1nc(on1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.3
|
6.6
± 0.2
|
3747 |
EN300-34491_1_1
|
|
CNC(=O)CN(C)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.0
± 0.2
|
6.6
± 0.1
|
3748 |
ALP-POS-d3acb8cc-4
|
|
C[C@@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.00
± 0.05
|
6.56
± 0.04
|
3749 |
EN300-370280_3_1
|
|
C[C@]1(CCC(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.3
|
6.6
± 0.2
|
3750 |
EN300-207959_2_1
|
|
C[C@@]1(CCNC1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.3
|
6.6
± 0.2
|
3751 |
EN300-10895_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)NCCC#N |
−9.0
± 0.4
|
6.6
± 0.3
|
3752 |
EN300-315963_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cc5cnoc5 |
−9.0
± 0.3
|
6.6
± 0.2
|
3753 |
EN300-30859_2_1
|
|
Cn1cnnc1CNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.3
|
6.6
± 0.2
|
3754 |
EN300-66432_1_1
|
|
CN(C)S(=O)(=O)CCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.0
± 0.4
|
6.6
± 0.3
|
3755 |
EN300-98429_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cn[nH]n5 |
−9.0
± 0.3
|
6.6
± 0.2
|
3756 |
EN300-322332_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5ccc(nc5)C(=O)N |
−9.0
± 0.3
|
6.6
± 0.2
|
3757 |
DAR-DIA-9e4459de-13
|
|
c1cc2c(cc1OCCOCNC3=CC=CC4C3C(=O)N(C4=O)C5CCC(=O)NC5=O)cncc2NC(=O)C6CCOc7c6cc(cc7)Cl |
−9.0
± 0.1
|
6.55
± 0.09
|
3758 |
EN300-6766477_2_1
|
|
CCN(CCC(=O)N)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.0
± 0.3
|
6.6
± 0.2
|
3759 |
EN300-1915260_2_2
|
|
COC[C@H](COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.0
± 0.3
|
6.6
± 0.2
|
3760 |
EN300-300217_4_2
|
|
C/C=C/[C@@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.0
± 0.4
|
6.6
± 0.3
|
3761 |
MAK-UNK-8be7dca9-1
|
|
c1cc2c(cc1CN3CCNCC3)cncc2NC(=O)C4CCOc5c4cc(cc5)Cl |
−9.0
± 0.1
|
6.6
± 0.1
|
3762 |
EN300-124052_1_4
|
|
C[C@H]1CN(C[C@H]1O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.3
|
6.6
± 0.3
|
3763 |
EN300-11300_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cc(=O)[nH]c(=O)[nH]5 |
−9.0
± 0.3
|
6.6
± 0.2
|
3764 |
RAL-THA-4aa06b95-5
|
|
COCC(=O)N1CCC(c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.0
± 0.2
|
6.6
± 0.2
|
3765 |
EN300-6482296_1_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CO[C@H]6[C@@H]5COC6 |
−9.0
± 0.3
|
6.6
± 0.2
|
3766 |
EN300-36938_1_1
|
|
Cc1cc(no1)NC(=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.2
|
6.6
± 0.2
|
3767 |
EN300-214038_1_2
|
|
C[C@H](CN(CCO)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.0
± 0.4
|
6.6
± 0.3
|
3768 |
EN300-86282_1_1
|
|
C[C@@H](CO)NC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.0
± 0.2
|
6.5
± 0.2
|
3769 |
EN300-104493_2_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CO)[C@H]5CCOC5 |
−9.0
± 0.4
|
6.5
± 0.3
|
3770 |
EN300-6736413_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@H]5CCNC5=O |
−9.0
± 0.2
|
6.5
± 0.2
|
3771 |
MIC-UNK-bcd487e9-2
|
|
c1ccc2c(c1)cncc2NC(=O)N(CC3CCCCC3)c4cccc(c4)Cl |
−9.0
± 0.4
|
6.5
± 0.3
|
3772 |
EN300-175186_2_1
|
|
C[C@@H](CO)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.0
± 0.2
|
6.5
± 0.2
|
3773 |
EN300-1448603_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CCS(=O)(=O)C5 |
−9.0
± 0.3
|
6.5
± 0.2
|
3774 |
EN300-89418_4_1
|
|
C[C@@](CO)(C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.0
± 0.7
|
6.5
± 0.5
|
3775 |
EN300-97699_1_1
|
|
C[C@@H](CS(=O)(=O)C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.0
± 0.4
|
6.5
± 0.3
|
3776 |
EN300-6478789_1_2
|
|
C[C@H]1C(=O)NC2(O1)CCN(CC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.0
± 0.3
|
6.5
± 0.2
|
3777 |
EN300-188582_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H](C5)O |
−9.0
± 0.3
|
6.5
± 0.2
|
3778 |
EN300-07936_2_1
|
|
CCN(CC(=O)NC(C)C)C(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.0
± 0.4
|
6.5
± 0.3
|
3779 |
EDG-MED-ba1ac7b9-2
|
|
c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC5CO |
−9.0
± 0.2
|
6.5
± 0.2
|
3780 |
EN300-31969_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC(=O)N(C5)CC6CC6 |
−9.0
± 0.3
|
6.5
± 0.2
|
3781 |
EN300-7438088_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5C[C@@H]6CS(=O)(=O)C[C@@H]6C5 |
−9.0
± 0.3
|
6.5
± 0.2
|
3782 |
EN300-1265949_2_2
|
|
C[C@H](C(=O)N1CCS(=O)(=O)CC1)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.4
|
6.5
± 0.3
|
3783 |
ALP-UNI-76695c4f-10
|
|
CC12CN(CC1(C(=O)NC2=O)C)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.0
± 0.4
|
6.5
± 0.3
|
3784 |
EN300-311920_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCS(=O)(=O)C5)F |
−9.0
± 0.3
|
6.5
± 0.2
|
3785 |
DAR-DIA-0d514e7d-27_1
|
|
C[C@@]1(c2cc(cc(c2OCC1(C)C)OC)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.0
± 0.3
|
6.5
± 0.2
|
3786 |
MAT-POS-e9e99895-5
|
|
CC(c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)c4cc5n(n4)CCO5 |
−9.0
± 0.3
|
6.5
± 0.2
|
3787 |
EN300-250416_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5nc6ncccn6n5 |
−9.0
± 0.3
|
6.5
± 0.2
|
3788 |
EN300-268198_1_1
|
|
C[C@@H](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N |
−9.0
± 0.3
|
6.5
± 0.2
|
3789 |
EN300-155176_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CCCS5(=O)=O |
−9.0
± 0.4
|
6.5
± 0.3
|
3790 |
EN300-219496_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCC[N@](C5)S(=O)(=O)N |
−9.0
± 0.3
|
6.5
± 0.2
|
3791 |
EN300-18249_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)N |
−9.0
± 0.3
|
6.5
± 0.2
|
3792 |
MAT-POS-3b92565d-2
|
|
COc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 |
−9.0
± 0.3
|
6.5
± 0.2
|
3793 |
EN300-7494324_3_1
|
|
Cc1c(nc[nH]1)C[C@@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.0
± 0.3
|
6.5
± 0.3
|
3794 |
EDJ-MED-e4b030d8-2_1
|
|
C[C@@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 |
−8.97
± 0.05
|
6.53
± 0.04
|
3795 |
EN300-306316_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5[nH]ncn5 |
−9.0
± 0.3
|
6.5
± 0.2
|
3796 |
EN300-349304_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@H]([C@H](C5)O)O |
−9.0
± 0.3
|
6.5
± 0.2
|
3797 |
LAU-MED-88a3970a-11
|
|
CNCCCc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−9.0
± 0.2
|
6.5
± 0.2
|
3798 |
EN300-1705754_4_1
|
|
CC1(CS(=O)(=O)C1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.0
± 0.5
|
6.5
± 0.3
|
3799 |
EN300-1630093_1_1
|
|
CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[C@@]5(CCOC5)O |
−9.0
± 0.3
|
6.5
± 0.3
|
3800 |
EN300-187998_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@]6(C5)CC(=O)NC6 |
−9.0
± 0.3
|
6.5
± 0.2
|