Rank |
Compound |
SMILES |
ΔG / kcal M-1 |
pIC50 |
3001 |
EN300-366050_1_1
|
|
CC[C@@H](Cn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.4
± 0.2
|
6.9
± 0.2
|
3002 |
EN300-77543_1_1
|
|
COc1ncc(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.2
|
6.9
± 0.1
|
3003 |
EN300-10414_3_1
|
|
C[C@@]1(CCS(=O)(=O)C1)NC(=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.4
|
6.9
± 0.3
|
3004 |
EN300-71558_3_1
|
|
COC(=O)NCCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.3
|
6.9
± 0.2
|
3005 |
EN300-217494_3_1
|
|
C[C@@]([C@@H]1CCOC1)(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.4
± 0.2
|
6.9
± 0.2
|
3006 |
EN300-378316_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5[nH]nc6[n+]5cc[nH]c6=O |
−9.4
± 0.4
|
6.9
± 0.3
|
3007 |
EN300-761618_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)Nc5cccnn5 |
−9.4
± 0.2
|
6.9
± 0.2
|
3008 |
EDG-MED-90036822-110
|
|
CCN(C)CC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F |
−9.4
± 0.3
|
6.9
± 0.2
|
3009 |
EN300-814032_2_1
|
|
Cn1c(=O)n2c(n1)CN(CC2)C(=O)CC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.4
± 0.3
|
6.9
± 0.2
|
3010 |
EN300-1439991_1_1
|
|
Cn1nc(c(n1)Br)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3011 |
EDJ-MED-d203f206-25
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)C#N |
−9.4
± 0.3
|
6.9
± 0.2
|
3012 |
EN300-77778_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCCS(=O)(=O)C5 |
−9.4
± 0.4
|
6.9
± 0.3
|
3013 |
EN300-306144_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC(C5)(CO)CO |
−9.4
± 0.3
|
6.9
± 0.2
|
3014 |
EN300-6478526_2_1
|
|
CNC(=O)N1CCC(CC1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3015 |
JAG-UCB-706446eb-1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC(F)(F)F |
−9.4
± 0.2
|
6.9
± 0.2
|
3016 |
EN300-155589_1_1
|
|
CC(=O)OC(C)(C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.3
|
6.9
± 0.2
|
3017 |
EN300-51257_2_2
|
|
C[C@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC |
−9.4
± 0.2
|
6.9
± 0.1
|
3018 |
EN300-261410_1_1
|
|
C[C@@H]1C(=O)N(CN1C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−9.4
± 0.3
|
6.9
± 0.2
|
3019 |
EN300-7432415_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C6(CCC6)OC(=O)N5 |
−9.4
± 0.4
|
6.9
± 0.3
|
3020 |
EN300-186943_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCOCC5=O |
−9.4
± 0.3
|
6.9
± 0.2
|
3021 |
EN300-52193_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn(nn5)CCO |
−9.4
± 0.2
|
6.9
± 0.2
|
3022 |
EN300-222145_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CNC(=O)N5 |
−9.4
± 0.2
|
6.9
± 0.2
|
3023 |
EN300-45049_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCS(=O)(=O)N5 |
−9.4
± 0.4
|
6.9
± 0.3
|
3024 |
EN300-378343_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC=C[C@@H]5CO |
−9.4
± 0.2
|
6.9
± 0.2
|
3025 |
EN300-1072199_1_2
|
|
CO[C@]1(CCCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3026 |
EN300-18074_1_1
|
|
CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.1
|
6.9
± 0.1
|
3027 |
EN300-76584_1_1
|
|
Cc1c(cn(n1)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3028 |
EN300-6729572_2_5
|
|
C[C@@H]([C@@H]1C[C@H]1C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.4
± 0.2
|
6.9
± 0.2
|
3029 |
EN300-1709295_3_1
|
|
Cc1cnc(cn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3030 |
EN300-365993_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]6CS(=O)(=O)C[C@@H]6C5 |
−9.4
± 0.4
|
6.9
± 0.3
|
3031 |
EN300-2011576_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5Cc6c(nccn6)C5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3032 |
EN300-6498351_1_1
|
|
Cc1c(n(cn1)C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.2
|
6.9
± 0.1
|
3033 |
EDJ-MED-ee07cf00-15
|
|
c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)Cc4ccc(cc4)n5cnnn5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3034 |
EN300-91905_1_1
|
|
C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.4
± 0.2
|
6.9
± 0.1
|
3035 |
EN300-378828_1_1
|
|
C[C@@H]1[C@H]([C@H](C(=O)N1C)O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3036 |
EN300-173006_2_2
|
|
C[C@H](c1nnnn1C)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3037 |
EN300-7430501_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCn6c(cnn6)C5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3038 |
EN300-80241_1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H](C5)Cn6cncn6 |
−9.4
± 0.3
|
6.9
± 0.2
|
3039 |
EN300-7237143_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCc6c([nH]c(=O)[nH]6)C5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3040 |
EN300-5638430_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5CS(=O)(=O)C5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3041 |
EN300-171766_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCc5n[nH]c(=O)s5 |
−9.4
± 0.2
|
6.9
± 0.2
|
3042 |
PET-UNK-29afea89-2
|
|
CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.1
|
6.87
± 0.09
|
3043 |
EN300-6496666_1_1
|
|
CO[C@@H]1CN([C@@H]2[C@H]1COC2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.4
± 0.3
|
6.9
± 0.2
|
3044 |
EN300-20496_4_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@H]5CCOC5=O |
−9.4
± 0.3
|
6.9
± 0.2
|
3045 |
EN300-7434334_2_1
|
|
Cn1cnc2c1ncnc2C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.4
± 0.2
|
6.9
± 0.2
|
3046 |
EN300-183231_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCc5[nH]nnn5 |
−9.4
± 0.6
|
6.9
± 0.5
|
3047 |
EN300-199359_1_1
|
|
CC(C)[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.4
± 0.2
|
6.9
± 0.2
|
3048 |
EN300-301690_3_1
|
|
CS(=O)(=O)[N@@]1CC[C@@H](C1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.9
± 0.3
|
3049 |
EN300-191771_1_1
|
|
CS(=O)(=O)C1(CCC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.4
|
6.9
± 0.3
|
3050 |
EN300-216673_4_1
|
|
Cn1c(cnn1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3051 |
EN300-154944_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5OCCO5 |
−9.4
± 0.2
|
6.9
± 0.2
|
3052 |
VLA-UCB-05e51b3f-9
|
|
c1ccc2c(c1)cncc2N(C(=O)CCl)C(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−9.4
± 0.3
|
6.9
± 0.2
|
3053 |
DAR-DIA-23e5a6a0-1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4OC5CCC6(N5)CCC6)Cl |
−9.4
± 0.3
|
6.9
± 0.2
|
3054 |
EN300-31183_1_1
|
|
C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)COC |
−9.4
± 0.3
|
6.9
± 0.2
|
3055 |
EN300-254137_1_1
|
|
C#C[C@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.2
|
6.9
± 0.2
|
3056 |
EN300-31099_1_1
|
|
CCC(=O)NCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.2
|
6.9
± 0.2
|
3057 |
EN300-321558_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)CC(=O)N |
−9.4
± 0.3
|
6.9
± 0.2
|
3058 |
EN300-125884_1_1
|
|
CC[C@H](CO)NC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.3
|
6.9
± 0.2
|
3059 |
EN300-269419_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCNC(=O)N |
−9.4
± 0.2
|
6.9
± 0.2
|
3060 |
EN300-43047_3_1
|
|
CC(=O)N[C@@H](CC=C)C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.4
|
6.9
± 0.3
|
3061 |
ALP-UNI-76695c4f-4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC6CS(=O)(=O)CC6C5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3062 |
VLA-UCB-34f3ed0c-10_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCc5ccn[nH]5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3063 |
EN300-248178_1_1
|
|
Cc1cn[nH]c1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.2
|
6.9
± 0.1
|
3064 |
EN300-211482_2_2
|
|
C[C@H](C(=O)NC)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.3
|
6.9
± 0.2
|
3065 |
DAR-DIA-0d514e7d-24
|
|
C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)CC(C)C |
−9.4
± 0.2
|
6.9
± 0.1
|
3066 |
EN300-7439980_1_1
|
|
CC[C@@H]1C[C@@H](CC(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.9
± 0.2
|
3067 |
EDG-MED-90036822-87
|
|
CN(C)CC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F |
−9.4
± 0.2
|
6.9
± 0.2
|
3068 |
EN300-861925_4_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H](CO)F |
−9.4
± 0.4
|
6.9
± 0.3
|
3069 |
EN300-7493255_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](OCC56CC6)CO |
−9.4
± 0.4
|
6.9
± 0.3
|
3070 |
JOH-UNI-ea72002d-1
|
|
c1ccc2c(c1)cncc2N(C(=O)C3CCOc4c3cc(cc4)Cl)N5C(=O)C=CC5=O |
−9.4
± 0.2
|
6.9
± 0.2
|
3071 |
EN300-04073_1_1
|
|
CC(=O)NCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.3
|
6.9
± 0.2
|
3072 |
EN300-114133_3_1
|
|
CCC(=O)N1CC[C@@H](C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.4
|
6.9
± 0.3
|
3073 |
EN300-85760_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCO5 |
−9.4
± 0.2
|
6.9
± 0.2
|
3074 |
JAG-UCB-706446eb-5_2
|
|
COCCN([C@H]1CCCOC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.5
|
6.9
± 0.3
|
3075 |
EN300-174603_4_1
|
|
CN(C(=O)CCOCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC |
−9.4
± 0.4
|
6.9
± 0.3
|
3076 |
EN300-217107_3_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC[C@H]5C(=O)N |
−9.4
± 0.3
|
6.9
± 0.2
|
3077 |
EN300-299532_3_1
|
|
CC(C)([C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O |
−9.4
± 0.3
|
6.9
± 0.2
|
3078 |
EN300-305294_1_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@H]([C@@H]6C5)O |
−9.4
± 0.2
|
6.9
± 0.2
|
3079 |
EN300-123398_1_2
|
|
CCOC(=O)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F |
−9.4
± 0.3
|
6.9
± 0.2
|
3080 |
EN300-14767_3_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCN(C5)C(=O)N |
−9.4
± 0.3
|
6.9
± 0.2
|
3081 |
EN300-1865348_3_1
|
|
C[NH+](C)CCOCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.4
|
6.9
± 0.3
|
3082 |
BEN-DND-a7517465-4
|
|
C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.1
|
6.85
± 0.07
|
3083 |
EN300-6494158_2_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5C[C@H](CO5)CO |
−9.4
± 0.3
|
6.9
± 0.2
|
3084 |
EN300-385267_3_1
|
|
CO[C@@]1(CCS(=O)(=O)C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3085 |
EN300-173006_4_2
|
|
C[C@H](c1nnnn1C)OCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.4
|
6.8
± 0.3
|
3086 |
EN300-783124_3_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]([C@H]5CCOC5)F |
−9.4
± 0.3
|
6.8
± 0.2
|
3087 |
EN300-104395_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCCO5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3088 |
EN300-39405_1_2
|
|
C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)S(=O)(=O)C |
−9.4
± 0.3
|
6.8
± 0.2
|
3089 |
EN300-261056_2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(cn5)c6ncccn6 |
−9.4
± 0.3
|
6.8
± 0.2
|
3090 |
EN300-96001_1_1
|
|
CC(C)(C)[C@@H](C(=O)N)NC(=O)C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.3
|
6.8
± 0.2
|
3091 |
EDJ-MED-ee07cf00-11
|
|
c1ccc2c(c1)cncc2NC(=O)C(c3cccc(c3)Cl)NC(=O)C4CCC(O4)C(=O)N5CCCC5 |
−9.4
± 0.3
|
6.8
± 0.2
|
3092 |
EN300-370753_3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC[C@H](C5)C(=O)N |
−9.4
± 0.3
|
6.8
± 0.2
|
3093 |
EN300-6779469_1_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5[C@H]6[C@H]5CS(=O)(=O)C6 |
−9.4
± 0.2
|
6.8
± 0.2
|
3094 |
DAR-DIA-0d514e7d-29
|
|
C[C@@H]1COc2ccc(cc2[C@]1(C)C(=O)Nc3cncc4c3cccc4)Cl |
−9.4
± 0.2
|
6.8
± 0.2
|
3095 |
EN300-100180_1_1
|
|
CC(=O)N1CC[C@@H](C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.4
± 0.5
|
6.8
± 0.3
|
3096 |
ALP-UNI-dbbfd3db-1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccc(cc5)n6cnnn6 |
−9.4
± 0.3
|
6.8
± 0.2
|
3097 |
EN300-1425608_1_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]([C@H](C5)CO)CCO |
−9.4
± 0.3
|
6.8
± 0.2
|
3098 |
BEN-BAS-5c03e89e-1_2
|
|
CC(C)([C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)O |
−9.4
± 0.1
|
6.84
± 0.08
|
3099 |
EN300-67023_1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)C[C@@H]5CCCO5 |
−9.4
± 0.4
|
6.8
± 0.3
|
3100 |
EN300-17184_2_1
|
|
C=CCNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.4
± 0.2
|
6.8
± 0.2
|