Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
3101 |
EN300-25702_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5(CC5)O |
−9.4
± 0.3
|
6.8
± 0.2
|
3102 |
EN300-1178209_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCc5cn[nH]n5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3103 |
EN300-306047_4_1
|
|
Cn1cc(nn1)CCC(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.4
|
6.8
± 0.3
|
3104 |
EN300-67573_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC5CCOCC5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3105 |
EN300-7351945_1_1
|
|
CC1(C[C@@H](CNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−9.4
± 0.2
|
6.8
± 0.2
|
3106 |
EN300-704025_1_1
|
|
COC1(CS(=O)(=O)C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3107 |
EN300-18249_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N |
−9.4
± 0.2
|
6.8
± 0.1
|
3108 |
EN300-1073320_2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](C5(CCC5)O)O |
−9.4
± 0.3
|
6.8
± 0.2
|
3109 |
EDJ-MED-e4b030d8-13_1
|
|
C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.39
± 0.10
|
6.84
± 0.07
|
3110 |
EN300-257945_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5[C@H]6[C@@H]5COC6 |
−9.4
± 0.3
|
6.8
± 0.2
|
3111 |
EN300-63781_1_1
|
|
Cc1c2c(c(=O)n(nc2C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)C)no1 |
−9.4
± 0.3
|
6.8
± 0.2
|
3112 |
EN300-6763507_1_4
|
|
CO[C@H]1C[C@H](CN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.4
± 0.3
|
6.8
± 0.2
|
3113 |
EN300-76451_2_4
|
|
CO[C@H]1COCC[C@H]1NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3114 |
EN300-1071940_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@]5(CCCOC5)O |
−9.4
± 0.3
|
6.8
± 0.2
|
3115 |
EN300-25386_3_1
|
|
Cn1c(cc(=O)n(c1=O)C)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3116 |
EN300-7121836_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cn[nH]c5F |
−9.4
± 0.3
|
6.8
± 0.2
|
3117 |
EN300-36495_1_1
|
|
CCOC(=O)NCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.3
|
6.8
± 0.2
|
3118 |
EN300-310398_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CC[N+]6(CC5)[NH2+]S6(=O)=O |
−9.4
± 0.3
|
6.8
± 0.2
|
3119 |
DAR-DIA-0d514e7d-1
|
|
C[C@H]1COc2c(cc(cc2OC)Cl)[C@@H]1C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.1
|
6.83
± 0.08
|
3120 |
EN300-1706036_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5C(=O)NCCO5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3121 |
EN300-189563_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCC5CS(=O)(=O)C5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3122 |
EDG-MED-ba1ac7b9-9
|
|
c1ccc2c(c1)cncc2NC(=O)C3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCCC5c6nc[nH]n6 |
−9.4
± 0.3
|
6.8
± 0.2
|
3123 |
EN300-298552_3_1
|
|
CO[C@@H]([C@@H]1CCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.2
|
6.8
± 0.2
|
3124 |
EN300-1709213_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)c6[nH]ncn6 |
−9.4
± 0.3
|
6.8
± 0.2
|
3125 |
EN300-130825_1_1
|
|
CN1[C@@H](CCC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.2
|
6.8
± 0.2
|
3126 |
EN300-13499_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCCNC(=O)N |
−9.4
± 0.3
|
6.8
± 0.2
|
3127 |
EN300-383906_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CNC(=O)N5CCCC5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3128 |
EN300-359750_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC(=O)O5 |
−9.4
± 0.2
|
6.8
± 0.2
|
3129 |
KAD-UNI-8a629cb0-48
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)n6cncn6 |
−9.4
± 0.3
|
6.8
± 0.2
|
3130 |
BEN-DND-c852c98b-1_1
|
|
c1cc2cncc(c2cc1C#N)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−9.4
± 0.1
|
6.83
± 0.09
|
3131 |
DAR-DIA-23e5a6a0-3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5CC6(N5)COC6)Cl |
−9.4
± 0.3
|
6.8
± 0.2
|
3132 |
EN300-7438088_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C5C[C@@H]6CS(=O)(=O)C[C@@H]6C5 |
−9.4
± 0.4
|
6.8
± 0.3
|
3133 |
EN300-18557_1_1
|
|
CC(=O)N1CCC(CC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3134 |
EN300-1091448_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC5(CO)CO |
−9.4
± 0.3
|
6.8
± 0.2
|
3135 |
EDJ-MED-40433386-9
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCc6ncnn6C5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3136 |
EN300-1452069_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](CC5CCOCC5)O |
−9.4
± 0.3
|
6.8
± 0.2
|
3137 |
EN300-7540889_3_1
|
|
COc1ccc(nn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3138 |
EN300-249421_3_4
|
|
C[C@H]([C@H]1CCC(=O)N1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3139 |
EN300-298552_3_2
|
|
CO[C@H]([C@@H]1CCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.2
|
6.8
± 0.2
|
3140 |
EDG-MED-90036822-93
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5c[nH]cn5 |
−9.4
± 0.2
|
6.8
± 0.2
|
3141 |
EN300-7444635_1_1
|
|
Cn1c(ncn1)CN(C)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3142 |
EN300-132523_1_1
|
|
C[N@](CCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C |
−9.4
± 0.4
|
6.8
± 0.3
|
3143 |
EN300-126389_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5COC(=O)N5 |
−9.4
± 0.2
|
6.8
± 0.2
|
3144 |
EN300-1265948_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCS(=O)(=O)CC5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3145 |
ALP-UNI-3496895b-13
|
|
Cn1c(=O)cc2c(n1)CCN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.4
± 0.3
|
6.8
± 0.2
|
3146 |
EN300-6766760_1_1
|
|
CCn1cnnc1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.2
|
6.8
± 0.2
|
3147 |
EN300-92472_1_1
|
|
Cn1c(c[cH+][nH]1)COCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3148 |
EDG-MED-90036822-73
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5C6N5CCC6 |
−9.4
± 0.2
|
6.8
± 0.2
|
3149 |
ED_-GRI-5b13fbe2-65
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCOCCN5CCNCC5 |
−9.4
± 0.4
|
6.8
± 0.3
|
3150 |
EN300-6499164_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(=O)N[C@@H]6[C@@H]5CC6 |
−9.4
± 0.3
|
6.8
± 0.2
|
3151 |
EDJ-MED-d203f206-15
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]5[C@H](CO)O |
−9.4
± 0.4
|
6.8
± 0.3
|
3152 |
EN300-79536_2_1
|
|
C=CCN(CCO)C(=O)CC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.3
|
6.8
± 0.2
|
3153 |
EN300-30768_3_2
|
|
C[C@H]1C[C@@H]1C(=O)NCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3154 |
EN300-263669_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]56C[C@H]5COC6 |
−9.4
± 0.3
|
6.8
± 0.2
|
3155 |
EN300-84785_1_2
|
|
C[C@H](CC(=O)N)NC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.2
|
6.8
± 0.1
|
3156 |
EN300-255496_1_1
|
|
C[N@@]1CC[C@@H](S1(=O)=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3157 |
EN300-249421_1_3
|
|
C[C@@H]([C@H]1CCC(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3158 |
EN300-3044054_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC(=O)N5C6CC6 |
−9.4
± 0.3
|
6.8
± 0.2
|
3159 |
VLA-UCB-05e51b3f-5
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@]4(C3=O)CCOc5c4cc(cc5)Cl |
−9.4
± 0.2
|
6.8
± 0.2
|
3160 |
EN300-14458_2_1
|
|
C[C@@H](C(=O)N(C)C)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.2
|
6.8
± 0.2
|
3161 |
EDG-MED-ba1ac7b9-19
|
|
CC1c2nncn2CCN1C(=O)CC3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.4
± 0.2
|
6.8
± 0.2
|
3162 |
EN300-102901_3_1
|
|
CCC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N |
−9.4
± 0.5
|
6.8
± 0.3
|
3163 |
EN300-198540_1_2
|
|
Cn1cc(cn1)[C@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.4
± 0.3
|
6.8
± 0.2
|
3164 |
EN300-1241327_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)N5CCOCC5 |
−9.4
± 0.2
|
6.8
± 0.2
|
3165 |
EN300-1253178_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)NC5CC5 |
−9.4
± 0.4
|
6.8
± 0.3
|
3166 |
EN300-174561_1_1
|
|
Cn1cncc1CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.2
|
6.8
± 0.2
|
3167 |
EN300-246992_3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5CCC(=O)NC5 |
−9.4
± 0.4
|
6.8
± 0.3
|
3168 |
EN300-7493922_1_1
|
|
Cn1cnc(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.2
|
6.8
± 0.2
|
3169 |
EN300-1719401_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CO)c5[nH]ncn5 |
−9.4
± 0.4
|
6.8
± 0.3
|
3170 |
EN300-176587_2_1
|
|
CC1(CN(C1)C(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.4
± 0.2
|
6.8
± 0.2
|
3171 |
EN300-216968_1_1
|
|
CN1[C@H]2CCN(C[C@H]2NC1=O)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.4
± 0.3
|
6.8
± 0.2
|
3172 |
EN300-155447_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5nnc6n5CCOC6 |
−9.3
± 0.2
|
6.8
± 0.2
|
3173 |
EN300-6478434_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6(CC5)CNC(=O)[C@@H]6O |
−9.3
± 0.5
|
6.8
± 0.4
|
3174 |
EN300-1600786_4_1
|
|
Cn1cc(nn1)CCOCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3175 |
EN300-141695_4_2
|
|
CN1CC[C@H](C1=O)C(=O)NCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.4
|
6.8
± 0.3
|
3176 |
EN300-41863_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c[nH]nc5 |
−9.3
± 0.2
|
6.8
± 0.1
|
3177 |
EN300-6733137_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5(CC5)n6cncn6 |
−9.3
± 0.3
|
6.8
± 0.2
|
3178 |
EN300-6734171_1_1
|
|
C[C@@]1(CCC(=O)N(C1)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3179 |
EN300-371704_2_1
|
|
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3180 |
EN300-246747_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5CC(=O)NC5 |
−9.3
± 0.4
|
6.8
± 0.3
|
3181 |
EN300-3044054_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC(=O)N5C6CC6 |
−9.3
± 0.3
|
6.8
± 0.2
|
3182 |
EN300-210254_1_1
|
|
C[C@@H](CN(C)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.3
± 0.3
|
6.8
± 0.2
|
3183 |
EN300-6501360_3_2
|
|
CN(C)C(=O)NC[C@H](COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.3
± 0.4
|
6.8
± 0.3
|
3184 |
EN300-69162_4_2
|
|
C[C@H](COC)C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.3
|
6.8
± 0.2
|
3185 |
ALP-POS-3b848b35-1
|
|
COc1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 |
−9.3
± 0.3
|
6.8
± 0.2
|
3186 |
EN300-370967_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCN5CCOC5=O |
−9.3
± 0.2
|
6.8
± 0.1
|
3187 |
EN300-1709315_1_2
|
|
C[C@]1(CCCNS1(=O)=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3188 |
EN300-1083988_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCNC(=O)C(C5)(F)F |
−9.3
± 0.3
|
6.8
± 0.2
|
3189 |
MAT-POS-89e65850-3
|
|
COc1cc(c2cc(ccc2n1)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.3
|
6.8
± 0.2
|
3190 |
EN300-28177_2_2
|
|
C[C@H](C(=O)N1CCC[C@@H](C1)C(=O)N)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.3
|
6.8
± 0.2
|
3191 |
EN300-1651623_1_1
|
|
CN(C[C@@H](CF)O)C(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.4
|
6.8
± 0.3
|
3192 |
EN300-69162_1_2
|
|
C[C@H](COC)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.3
± 0.2
|
6.8
± 0.2
|
3193 |
EN300-2007564_1_2
|
|
CC1([C@H](CCS1(=O)=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−9.3
± 0.4
|
6.8
± 0.3
|
3194 |
EN300-6734334_1_1
|
|
Cc1[nH]c(=O)c(cn1)CCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.2
|
6.8
± 0.2
|
3195 |
EN300-97300_2_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5C[C@H]5F |
−9.3
± 0.2
|
6.8
± 0.1
|
3196 |
EN300-98648_1_2
|
|
CN1CC[C@H](C1=O)O[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.3
± 0.1
|
6.8
± 0.1
|
3197 |
EN300-115017_3_1
|
|
CC(C)[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.3
± 0.3
|
6.8
± 0.3
|
3198 |
ALP-POS-ce760d3f-5
|
|
c1cc2cncc(c2cc1F)NC(=O)C3=CCOc4c3cc(cc4)Cl |
−9.3
± 0.3
|
6.8
± 0.2
|
3199 |
LAU-MED-88a3970a-13
|
|
COCCCc1cc(cc2c1OCC[C@H]2C(=O)Nc3cncc4c3cccc4)Cl |
−9.3
± 0.2
|
6.8
± 0.1
|
3200 |
FRA-DIA-b66f7109-1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CNc4c3cc(cc4Cl)OC5CC(=O)N5 |
−9.3
± 0.3
|
6.8
± 0.2
|