| Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
| 4101 |
EN300-269419_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCNC(=O)N |
−3.0
± 0.2
|
2.2
± 0.2
|
| 4102 |
EN300-14437_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5CCS(=O)(=O)C5 |
−3.0
± 0.2
|
2.2
± 0.1
|
| 4103 |
EN300-250416_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5nc6ncccn6n5 |
−3.0
± 0.3
|
2.2
± 0.2
|
| 4104 |
EN300-6739235_4
|
|
CN([C@H]1C[C@@H](C1)C(=O)NCCC[C@@]2(c3c(ccc(c3)Cl)OCC2)C(=O)Nc4c5c(cnc4)cccc5)C |
−2.9
± 0.3
|
2.1
± 0.2
|
| 4105 |
EN300-36065_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCS(=O)(=O)N |
−2.9
± 0.3
|
2.1
± 0.3
|
| 4106 |
EN300-702542_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC56CC(C5)(CO6)CO |
−2.9
± 0.3
|
2.1
± 0.2
|
| 4107 |
EN300-1719428_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5cc(cnc5)S(=O)(=O)N |
−2.9
± 0.2
|
2.1
± 0.2
|
| 4108 |
EN300-7435545_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCO[C@@H]5C(=O)N |
−2.8
± 0.3
|
2.1
± 0.2
|
| 4109 |
EN300-117839_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5CCS(=O)(=O)CC5 |
−2.8
± 0.3
|
2.1
± 0.2
|
| 4110 |
EN300-322603_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CC(C5)(CO)CO |
−2.8
± 0.3
|
2.1
± 0.2
|
| 4111 |
EN300-20345_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCN5CCOCC5 |
−2.8
± 0.3
|
2.0
± 0.2
|
| 4112 |
EN300-130656_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cccc(n5)C(=O)N |
−2.8
± 0.3
|
2.0
± 0.2
|
| 4113 |
EN300-398631_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCS(=O)(=O)N5CCCC5 |
−2.8
± 0.6
|
2.0
± 0.4
|
| 4114 |
EN300-207543_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC(CN5CCCCC5)CO |
−2.7
± 0.3
|
2.0
± 0.2
|
| 4115 |
EN300-245269_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCS(=O)(=O)C5CCOCC5 |
−2.7
± 0.6
|
1.9
± 0.4
|
| 4116 |
EN300-6730277_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(=C6CC(=O)NC6=O)C5 |
−2.6
± 0.2
|
1.9
± 0.2
|
| 4117 |
EN300-6746622_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)NC(=O)N |
−2.5
± 0.3
|
1.8
± 0.2
|
| 4118 |
EN300-317867_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCNC(=O)C5 |
−2.5
± 0.3
|
1.8
± 0.2
|
| 4119 |
EN300-12626_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC(CN5CCOCC5)O |
−2.5
± 0.5
|
1.8
± 0.3
|
| 4120 |
EN300-39843_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCN5CCS(=O)(=O)CC5 |
−2.3
± 0.4
|
1.7
± 0.3
|
| 4121 |
EN300-75807_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5CCS(=O)(=O)CC5 |
−2.3
± 0.2
|
1.7
± 0.1
|
| 4122 |
EN300-71012_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5CCN(CC5)CCO |
−2.2
± 0.4
|
1.6
± 0.3
|
| 4123 |
EN300-199149_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC(CN5CCOCC5)CO |
−2.2
± 0.6
|
1.6
± 0.4
|
| 4124 |
EN300-39850_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC(CN5CCCCC5)O |
−2.2
± 0.4
|
1.6
± 0.3
|
| 4125 |
EN300-6472952_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC6(CC5)NC(=O)CO6 |
−2.0
± 0.3
|
1.5
± 0.2
|
| 4126 |
EN300-195790_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CCO)CO |
−2.0
± 0.3
|
1.5
± 0.2
|
| 4127 |
EN300-227398_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CCCN(C5)CCO |
−2.0
± 0.2
|
1.4
± 0.2
|
| 4128 |
EN300-6480251_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CN(C5)C(=O)C6CC6 |
−2.0
± 0.3
|
1.4
± 0.2
|
| 4129 |
EN300-71022_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CCN(CC5)CCO |
−1.9
± 0.5
|
1.4
± 0.3
|
| 4130 |
EN300-116238_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5c(nn[nH]5)C(=O)N |
−1.8
± 0.2
|
1.3
± 0.2
|
| 4131 |
EN300-2009936_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)Nc5ccc(nc5)S(=O)(=O)N |
−1.8
± 0.3
|
1.3
± 0.2
|
| 4132 |
EN300-73738_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCN5CCC(CC5)CO |
−1.6
± 0.3
|
1.2
± 0.2
|
| 4133 |
EN300-7430165_2
|
|
CS(=O)(=O)C[C@H]1C[C@H](C1)NC(=O)CC[C@@]2(c3c(ccc(c3)Cl)OCC2)C(=O)Nc4c5c(cnc4)cccc5 |
−1.6
± 0.4
|
1.2
± 0.3
|
| 4134 |
EN300-321951_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCN5CC[C@@H](C5)O |
−1.6
± 0.2
|
1.2
± 0.2
|
| 4135 |
EN300-12626_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC(CN5CCOCC5)O |
−1.5
± 0.5
|
1.1
± 0.3
|
| 4136 |
EN300-256579_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H](CN5CCCCC5)O |
−1.4
± 0.5
|
1.0
± 0.4
|
| 4137 |
EN300-254554_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCS(=O)(=O)C5CC5 |
−1.2
± 0.5
|
0.9
± 0.3
|
| 4138 |
EN300-1702911_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CC(C5)NC(=O)N |
−1.2
± 0.3
|
0.8
± 0.3
|
| 4139 |
EN300-257393_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H](CN5CCCCC5)O |
−0.6
± 0.4
|
0.4
± 0.3
|
| 4140 |
EN300-300044_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCS(=O)(=O)C(F)(F)F |
−0.2
± 0.5
|
0.2
± 0.4
|
| 4141 |
EN300-7426383_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5c6c(ccn5)[nH]nn6 |
1.2
± 0.3
|
−0.9
± 0.2
|