Molecular Properties | |
SMILES: | Cc1cccc(Cn2c(=O)n(CCNC(=O)[C@H]3CCOC3)c3ncccc32)c1 |
MW: | 380.18 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 78.15 |
cLogP: | 1.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAR-TRE-3e4e6814-94
0.747
MAR-TRE-3e4e6814-71
0.747
MAR-TRE-d0525fbf-88
0.697
MAR-TRE-f6f5f473-41
0.594
MAR-TRE-3e4e6814-70
0.550
MAR-TRE-d0525fbf-66
0.510
MAR-TRE-f6f5f473-93
0.510
MAR-TRE-f6f5f473-61
0.490
MAR-TRE-74c6519b-59
0.485
MAR-TRE-74c6519b-11
0.468
MAR-TRE-3e4e6814-64
0.465
MAR-TRE-04c86cea-88
0.453
MAR-TRE-f6f5f473-42
0.445
MAR-TRE-04c86cea-14
0.444
MAR-TRE-04c86cea-54
0.411
MAR-TRE-b77b7921-11
0.398
MAR-TRE-f6f5f473-49
0.385
MAR-TRE-f6f5f473-72
0.384
MAR-TRE-74c6519b-25
0.381
MAR-TRE-04c86cea-37
0.375
MAR-TRE-04c86cea-15
0.372
MAR-TRE-74c6519b-70
0.363
MAR-TRE-74c6519b-8
0.345
MAR-TRE-3e4e6814-2
0.345
MAR-TRE-74c6519b-75
0.343
MAR-TRE-74c6519b-7
0.333
MAR-TRE-3e4e6814-25
0.330
MAR-TRE-04c86cea-74
0.325
MAR-TRE-f6f5f473-54
0.325
MAR-TRE-3159af1a-4
0.324
MAR-TRE-f6f5f473-89
0.324
MAR-TRE-4b834d9a-93
0.316
MAR-TRE-4b834d9a-55
0.315
MAR-TRE-4b834d9a-99
0.312
MAR-TRE-f6f5f473-66
0.309
MAR-TRE-7f7bb9f0-71
0.308
MAR-TRE-3e4e6814-60
0.308
MAR-TRE-f6f5f473-43
0.307
MAR-TRE-4b834d9a-2
0.306
MAR-TRE-3e4e6814-72
0.304
MAR-TRE-f6f5f473-59
0.303
MAR-TRE-f6f5f473-96
0.303
MAR-TRE-04c86cea-73
0.302
MAR-TRE-04c86cea-77
0.302
MAR-TRE-f6f5f473-40
0.302
MAR-TRE-f6f5f473-88
0.302
MAR-TRE-4b834d9a-3
0.301
MAR-TRE-f6f5f473-55
0.301
MAR-TRE-04c86cea-20
0.301
MAK-UNK-3f402c2b-3
0.300
MAR-TRE-04c86cea-12
0.300
MAR-TRE-f6f5f473-12
0.299
MAR-TRE-3e4e6814-5
0.299
MAR-TRE-04c86cea-89
0.298
MAR-TRE-04c86cea-33
0.298
MAR-TRE-4b834d9a-33
0.297
MAR-TRE-d0525fbf-39
0.297
MAR-TRE-b77b7921-23
0.297
MAR-TRE-04c86cea-55
0.297
MAR-TRE-04c86cea-72
0.297
MAR-TRE-f6f5f473-50
0.297
MAR-TRE-7f7bb9f0-17
0.296
MAR-TRE-f6f5f473-82
0.296
MAR-TRE-9c797165-18
0.295
MAR-TRE-b77b7921-62
0.295
MAR-TRE-f6f5f473-22
0.294
MAR-TRE-f6f5f473-26
0.294
MAR-TRE-67513f76-2
0.294
MAR-TRE-67513f76-18
0.294
MAR-TRE-74c6519b-73
0.294
MAR-TRE-4b834d9a-25
0.292
MAR-TRE-f6f5f473-53
0.292
MAR-TRE-3e4e6814-35
0.292
MAR-TRE-b77b7921-20
0.292
MAR-TRE-04c86cea-58
0.292
MAR-TRE-f6f5f473-45
0.292
MAR-TRE-67513f76-94
0.291
MAR-TRE-4b834d9a-95
0.291
MAR-TRE-f6f5f473-34
0.289
MAR-TRE-3e4e6814-4
0.289
MAR-TRE-04c86cea-27
0.289
MAR-TRE-04c86cea-9
0.289
MAR-TRE-b77b7921-24
0.289
MAR-TRE-4b834d9a-84
0.288
MAR-TRE-3e4e6814-75
0.288
MAR-TRE-74c6519b-78
0.288
MAR-TRE-4b834d9a-12
0.288
JOO-PER-74f994a9-1
0.287
MAR-TRE-3e4e6814-1
0.287
MAK-UNK-e4a48a85-10
0.287
MAR-TRE-74c6519b-39
0.287
MAR-TRE-04c86cea-80
0.287
MAR-TRE-b77b7921-8
0.287
MAR-TRE-67513f76-15
0.287
MAR-TRE-4b834d9a-51
0.287
MAR-TRE-04c86cea-6
0.286
MAR-TRE-b77b7921-10
0.286
MAR-TRE-67513f76-62
0.286
MAR-TRE-4b834d9a-8
0.286
MAR-TRE-d0525fbf-68
0.285