Molecular Properties | |
SMILES: | NC(=O)Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21 |
MW: | 354.1 |
Fraction sp3: | 0.18 |
HBA: | 8 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 118.44 |
cLogP: | -0.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6858076807 |
MolPort: | MolPort-003-108-048 |
Filter82_pyridinium
MAR-TRE-d0525fbf-40
0.753
MAR-TRE-b77b7921-56
0.753
MAR-TRE-d0525fbf-13
0.744
MAR-TRE-d0525fbf-57
0.736
MAR-TRE-04c86cea-61
0.699
MAR-TRE-b77b7921-14
0.682
MAR-TRE-3e4e6814-38
0.660
MAR-TRE-b77b7921-38
0.660
MAR-TRE-b77b7921-64
0.652
MAR-TRE-b77b7921-79
0.652
MAR-TRE-04c86cea-98
0.652
MAR-TRE-b77b7921-12
0.652
MAR-TRE-04c86cea-37
0.652
MAR-TRE-b77b7921-37
0.644
MAR-TRE-04c86cea-28
0.634
MAR-TRE-f6f5f473-13
0.630
MAR-TRE-74c6519b-22
0.628
MAR-TRE-f6f5f473-32
0.604
MAR-TRE-9c797165-19
0.593
MAR-TRE-d0525fbf-73
0.578
MAR-TRE-b77b7921-94
0.564
MAR-TRE-d0525fbf-34
0.536
MAR-TRE-4b834d9a-98
0.458
MAR-TRE-4b834d9a-19
0.457
MAR-TRE-b77b7921-36
0.448
MAR-TRE-74c6519b-31
0.431
MAR-TRE-4b834d9a-50
0.430
MAR-TRE-4b834d9a-81
0.429
MAR-TRE-74c6519b-40
0.427
MAR-TRE-d0525fbf-60
0.427
MAR-TRE-f6f5f473-19
0.424
MAR-TRE-d0525fbf-17
0.422
MAR-TRE-04c86cea-92
0.422
MAR-TRE-d0525fbf-39
0.417
MAR-TRE-b77b7921-82
0.417
MAR-TRE-4b834d9a-52
0.416
MAR-TRE-b77b7921-13
0.416
MAR-TRE-74c6519b-74
0.416
MAR-TRE-f6f5f473-7
0.414
MAR-TRE-d0525fbf-29
0.413
MAR-TRE-74c6519b-28
0.412
MAR-TRE-b77b7921-46
0.412
MAR-TRE-d0525fbf-20
0.411
MAR-TRE-d0525fbf-86
0.411
MAR-TRE-b77b7921-57
0.410
MAR-TRE-04c86cea-2
0.408
MAR-TRE-d0525fbf-58
0.408
MAR-TRE-3e4e6814-32
0.408
MAR-TRE-04c86cea-8
0.408
MAR-TRE-f6f5f473-21
0.408
MAR-TRE-04c86cea-30
0.408
MAR-TRE-d0525fbf-32
0.407
MAR-TRE-7f7bb9f0-52
0.406
MAR-TRE-74c6519b-21
0.406
MAR-TRE-4b834d9a-28
0.406
MAR-TRE-7f7bb9f0-24
0.404
MAR-TRE-4b834d9a-41
0.404
MAR-TRE-3e4e6814-11
0.404
MAR-TRE-3e4e6814-29
0.404
MAR-TRE-74c6519b-32
0.404
MAR-TRE-d0525fbf-1
0.404
MAR-TRE-d0525fbf-48
0.404
MAR-TRE-04c86cea-59
0.404
MAR-TRE-4b834d9a-72
0.402
MAR-TRE-7f7bb9f0-77
0.402
MAR-TRE-3e4e6814-48
0.402
MAR-TRE-74c6519b-20
0.402
MAR-TRE-04c86cea-42
0.402
MAR-TRE-74c6519b-33
0.400
MAR-TRE-d0525fbf-47
0.398
MAR-TRE-d0525fbf-25
0.396
MAR-TRE-74c6519b-37
0.396
MAR-TRE-7f7bb9f0-40
0.396
MAR-TRE-d0525fbf-56
0.396
MAR-TRE-b77b7921-45
0.396
MAR-TRE-74c6519b-2
0.396
MAR-TRE-04c86cea-67
0.396
MAR-TRE-74c6519b-62
0.394
MAR-TRE-d0525fbf-15
0.394
MAR-TRE-d0525fbf-31
0.393
MAR-TRE-d0525fbf-42
0.393
MAR-TRE-74c6519b-87
0.391
MAR-TRE-04c86cea-23
0.390
MAR-TRE-f6f5f473-48
0.389
MAR-TRE-3e4e6814-83
0.389
MAR-TRE-3e4e6814-91
0.389
MAR-TRE-b77b7921-42
0.389
MAR-TRE-b77b7921-1
0.388
MAR-TRE-d0525fbf-27
0.387
MAR-TRE-b77b7921-25
0.387
MAR-TRE-74c6519b-15
0.387
MAR-TRE-b77b7921-58
0.386
MAR-TRE-b77b7921-60
0.385
MAR-TRE-74c6519b-83
0.384
MAR-TRE-04c86cea-29
0.382
MAR-TRE-d0525fbf-59
0.381
MAR-TRE-3e4e6814-99
0.380
MAR-TRE-04c86cea-66
0.380
MAR-TRE-b77b7921-6
0.380
MAR-TRE-74c6519b-99
0.378