Molecular Properties | |
SMILES: | Cc1ccc(Cn2c(=O)n(CCNC(=O)[C@H]3CCOC3)c3ncccc32)cc1 |
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-d0525fbf-88
0.815
MAR-TRE-3e4e6814-51
0.747
MAR-TRE-3e4e6814-70
0.736
MAR-TRE-f6f5f473-61
0.641
MAR-TRE-74c6519b-59
0.640
MAR-TRE-f6f5f473-93
0.630
MAR-TRE-d0525fbf-66
0.596
MAR-TRE-f6f5f473-42
0.566
MAR-TRE-3e4e6814-94
0.550
MAR-TRE-74c6519b-11
0.529
MAR-TRE-04c86cea-88
0.515
MAR-TRE-3e4e6814-64
0.485
MAR-TRE-74c6519b-75
0.454
MAR-TRE-04c86cea-54
0.453
MAR-TRE-04c86cea-14
0.434
MAR-TRE-f6f5f473-66
0.429
MAR-TRE-f6f5f473-41
0.427
MAR-TRE-f6f5f473-54
0.427
MAR-TRE-04c86cea-73
0.413
MAR-TRE-3e4e6814-35
0.398
MAR-TRE-04c86cea-74
0.398
MAR-TRE-04c86cea-12
0.394
MAR-TRE-f6f5f473-40
0.387
MAR-TRE-f6f5f473-43
0.381
MAR-TRE-3e4e6814-25
0.380
MAR-TRE-4b834d9a-51
0.378
MAR-TRE-f6f5f473-88
0.374
MAR-TRE-f6f5f473-92
0.372
MAR-TRE-74c6519b-73
0.370
MAR-TRE-74c6519b-40
0.364
MAR-TRE-f6f5f473-86
0.360
MAR-TRE-3e4e6814-60
0.355
MAR-TRE-74c6519b-30
0.352
MAR-TRE-f6f5f473-34
0.349
MAR-TRE-f6f5f473-17
0.339
MAR-TRE-3e4e6814-42
0.337
MAR-TRE-3e4e6814-21
0.336
MAR-TRE-74c6519b-6
0.333
MAR-TRE-74c6519b-21
0.333
MAR-TRE-74c6519b-92
0.330
MAR-TRE-4b834d9a-55
0.327
MAR-TRE-4b834d9a-30
0.325
MAR-TRE-f6f5f473-55
0.324
MAR-TRE-3e4e6814-10
0.324
MAR-TRE-b77b7921-48
0.322
MAR-TRE-74c6519b-5
0.321
MAR-TRE-f6f5f473-21
0.321
MAR-TRE-74c6519b-39
0.321
MAR-TRE-04c86cea-80
0.321
MAR-TRE-04c86cea-89
0.319
MAR-TRE-7f7bb9f0-71
0.319
MAR-TRE-3e4e6814-11
0.319
MAR-TRE-f6f5f473-50
0.319
MAR-TRE-3e4e6814-86
0.318
MAR-TRE-3e4e6814-26
0.316
MAR-TRE-4b834d9a-93
0.316
MAR-TRE-04c86cea-36
0.315
MAR-TRE-04c86cea-63
0.315
MAR-TRE-f6f5f473-68
0.315
MAR-TRE-b77b7921-20
0.313
MAR-TRE-f6f5f473-72
0.313
MAR-TRE-f6f5f473-89
0.312
MAR-TRE-3e4e6814-4
0.310
MAR-TRE-04c86cea-56
0.310
MAR-TRE-f6f5f473-16
0.310
MAR-TRE-f6f5f473-12
0.310
MAR-TRE-b77b7921-11
0.308
MAR-TRE-7f7bb9f0-17
0.308
MAR-TRE-9c797165-18
0.308
MAR-TRE-b77b7921-54
0.308
MAR-TRE-04c86cea-33
0.308
MAR-TRE-d0525fbf-39
0.307
MAR-TRE-04c86cea-70
0.307
MAR-TRE-3e4e6814-33
0.306
MAR-TRE-67513f76-2
0.305
MAR-TRE-67513f76-18
0.305
MAR-TRE-04c86cea-3
0.304
MAR-TRE-f6f5f473-22
0.304
MAR-TRE-d0525fbf-32
0.303
MAR-TRE-4b834d9a-95
0.302
MAR-TRE-4b834d9a-39
0.302
MAR-TRE-b77b7921-45
0.302
MAR-TRE-f6f5f473-62
0.302
MAR-TRE-f6f5f473-96
0.302
MAR-TRE-04c86cea-67
0.302
MAR-TRE-04c86cea-66
0.299
MAR-TRE-4b834d9a-84
0.299
MAR-TRE-67513f76-15
0.297
MAR-TRE-67513f76-62
0.296
MAR-TRE-b77b7921-23
0.296
MAR-TRE-04c86cea-55
0.296
MAR-TRE-7f7bb9f0-85
0.295
MAR-TRE-67513f76-91
0.295
MAR-TRE-f6f5f473-82
0.295
MAR-TRE-74c6519b-25
0.294
MAR-TRE-4b834d9a-7
0.292
MAR-TRE-3e4e6814-48
0.292
MAR-TRE-7f7bb9f0-39
0.291
MAR-TRE-f6f5f473-53
0.291
MAR-TRE-7f7bb9f0-87
0.290