Molecular Properties | |
SMILES: | Cc1cccc(NC(=O)Cn2c(=O)c3cc(C4CC4)nn3c3ncccc32)c1 |
MW: | 373.15 |
Fraction sp3: | 0.24 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 81.29 |
cLogP: | 2.87 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4043218915 |
MolPort: | MolPort-010-930-686 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-f6f5f473-44
0.784
MAR-TRE-74c6519b-64
0.782
MAR-TRE-74c6519b-88
0.775
MAR-TRE-d0525fbf-94
0.708
MAR-TRE-b77b7921-84
0.645
MAR-TRE-f6f5f473-70
0.620
MAR-TRE-04c86cea-6
0.600
MAR-TRE-b77b7921-5
0.598
MAR-TRE-b77b7921-26
0.598
MAR-TRE-b77b7921-8
0.592
MAR-TRE-b77b7921-7
0.582
MAR-TRE-04c86cea-27
0.582
MAR-TRE-b77b7921-10
0.578
MAR-TRE-b77b7921-19
0.574
MAR-TRE-b77b7921-90
0.557
MAR-TRE-67513f76-76
0.520
MAR-TRE-67513f76-52
0.510
MAR-TRE-04c86cea-16
0.510
MAR-TRE-9c797165-92
0.500
MAR-TRE-7f7bb9f0-93
0.500
MAR-TRE-4b834d9a-83
0.471
MAR-TRE-74c6519b-3
0.465
MAR-TRE-3e4e6814-29
0.421
MAR-TRE-4b834d9a-22
0.421
MAR-TRE-4b834d9a-47
0.415
MAR-TRE-4b834d9a-5
0.415
MAR-TRE-3e4e6814-14
0.413
MAR-TRE-04c86cea-43
0.413
MAR-TRE-74c6519b-61
0.411
MAR-TRE-f6f5f473-3
0.409
JAG-UCB-ef2c0e8e-3
0.402
MAR-TRE-4b834d9a-18
0.402
MAR-TRE-74c6519b-60
0.402
MAR-TRE-d0525fbf-22
0.396
MAR-TRE-d0525fbf-38
0.391
MAR-TRE-b77b7921-11
0.362
MAR-TRE-3159af1a-85
0.361
MAR-TRE-74c6519b-25
0.358
MAR-TRE-3e4e6814-37
0.354
MAR-TRE-f6f5f473-72
0.351
MAR-TRE-14ce9fd6-43
0.347
MAR-TRE-74c6519b-75
0.346
MAR-TRE-4b834d9a-84
0.340
MAR-TRE-74c6519b-8
0.336
MAR-TRE-74c6519b-7
0.336
MAR-TRE-67513f76-94
0.330
MAR-TRE-9c797165-36
0.330
MAR-TRE-f6f5f473-54
0.327
LOR-NOR-30067bb9-8
0.327
MAR-TRE-b77b7921-16
0.324
MAR-TRE-3e4e6814-83
0.322
MAR-TRE-f6f5f473-43
0.321
MAR-TRE-74c6519b-71
0.321
MAR-TRE-74c6519b-73
0.321
MAR-TRE-3e4e6814-26
0.319
MAR-TRE-3e4e6814-94
0.317
MAR-TRE-f6f5f473-88
0.316
MAR-TRE-04c86cea-77
0.316
MAR-TRE-b77b7921-93
0.315
MAR-TRE-9c797165-89
0.315
MAR-TRE-9c797165-15
0.314
MAR-TRE-4b834d9a-96
0.314
MAR-TRE-b77b7921-22
0.313
MAR-TRE-d0525fbf-58
0.313
MAR-TRE-f6f5f473-66
0.312
MAR-TRE-3e4e6814-91
0.311
MAR-TRE-b77b7921-23
0.310
MAR-TRE-3e4e6814-60
0.310
MAR-TRE-74c6519b-31
0.310
MAR-TRE-67513f76-23
0.309
MAR-TRE-9c797165-100
0.308
MAR-TRE-b77b7921-60
0.308
MAR-TRE-74c6519b-70
0.308
MAR-TRE-74c6519b-62
0.306
MAR-TRE-3e4e6814-40
0.305
MAR-TRE-f6f5f473-40
0.304
MAR-TRE-74c6519b-28
0.304
MAR-TRE-4b834d9a-3
0.304
MAR-TRE-74c6519b-87
0.303
MAR-TRE-b77b7921-65
0.303
MAR-TRE-3e4e6814-2
0.303
MAR-TRE-3e4e6814-51
0.303
MAR-TRE-3e4e6814-1
0.302
MAR-TRE-4b834d9a-12
0.302
MAR-TRE-74c6519b-5
0.302
WAR-XCH-eb7b662f-6
0.301
MAR-TRE-74c6519b-6
0.301
MAR-TRE-04c86cea-42
0.300
MAR-TRE-d0525fbf-48
0.299
MAR-TRE-7f7bb9f0-17
0.299
MAR-TRE-7f7bb9f0-85
0.299
MAR-TRE-3e4e6814-3
0.299
MAR-TRE-67513f76-91
0.298
MAR-TRE-9c797165-18
0.298
MAR-TRE-4b834d9a-2
0.297
MAR-TRE-9c797165-45
0.296
MAR-TRE-4b834d9a-7
0.296
MAR-TRE-67513f76-2
0.296
MAR-TRE-3e4e6814-48
0.296
MAR-TRE-3e4e6814-72
0.296