Molecular Properties | |
SMILES: | Cc1ccccc1Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2ncccc21 |
MW: | 401.14 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 75.35 |
cLogP: | 2.69 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6038807352 |
MolPort: | MolPort-003-591-525 |
Filter82_pyridinium
MAR-TRE-b77b7921-64
0.767
MAR-TRE-f6f5f473-13
0.761
MAR-TRE-b77b7921-37
0.759
MAR-TRE-04c86cea-61
0.738
MAR-TRE-04c86cea-37
0.727
MAR-TRE-b77b7921-14
0.701
MAR-TRE-f6f5f473-32
0.691
MAR-TRE-b77b7921-12
0.670
MAR-TRE-b77b7921-79
0.670
MAR-TRE-d0525fbf-19
0.652
MAR-TRE-74c6519b-22
0.629
MAR-TRE-74c6519b-94
0.628
MAR-TRE-d0525fbf-57
0.625
MAR-TRE-b77b7921-56
0.621
MAR-TRE-d0525fbf-40
0.621
MAR-TRE-d0525fbf-13
0.615
MAR-TRE-04c86cea-26
0.614
MAR-TRE-b77b7921-94
0.567
MAR-TRE-3e4e6814-38
0.551
MAR-TRE-b77b7921-38
0.551
MAR-TRE-04c86cea-28
0.532
MAR-TRE-04c86cea-18
0.510
MAR-TRE-f6f5f473-11
0.460
MAR-TRE-b77b7921-32
0.459
MAR-TRE-b77b7921-41
0.444
MAR-TRE-f6f5f473-86
0.438
MAR-TRE-74c6519b-83
0.434
MAR-TRE-f6f5f473-49
0.434
MAR-TRE-d0525fbf-86
0.433
MAR-TRE-b77b7921-86
0.429
MAR-TRE-3e4e6814-42
0.424
MAR-TRE-3e4e6814-99
0.419
MAR-TRE-d0525fbf-59
0.418
MAR-TRE-4b834d9a-34
0.418
MAR-TRE-b77b7921-50
0.413
MAR-TRE-3e4e6814-77
0.412
MAR-TRE-04c86cea-50
0.411
MAR-TRE-d0525fbf-46
0.410
MAR-TRE-b77b7921-76
0.408
MAR-TRE-d0525fbf-18
0.406
MAR-TRE-d0525fbf-67
0.406
MAR-TRE-b77b7921-51
0.402
MAR-TRE-b77b7921-62
0.402
MAR-TRE-4b834d9a-80
0.400
MAR-TRE-7f7bb9f0-10
0.400
MAR-TRE-3e4e6814-30
0.396
MAR-TRE-b77b7921-49
0.394
MAR-TRE-b77b7921-33
0.392
MAR-TRE-d0525fbf-16
0.392
MAR-TRE-b77b7921-31
0.391
MAR-TRE-f6f5f473-10
0.390
MAR-TRE-3e4e6814-32
0.389
MAR-TRE-d0525fbf-39
0.385
MAR-TRE-04c86cea-15
0.366
MAR-TRE-f6f5f473-5
0.366
MAR-TRE-f6f5f473-19
0.364
MAR-TRE-04c86cea-92
0.364
MAR-TRE-4b834d9a-19
0.363
MAR-TRE-3e4e6814-44
0.362
MAR-TRE-04c86cea-59
0.360
MAR-TRE-74c6519b-32
0.360
MAR-TRE-b77b7921-36
0.358
MAR-TRE-d0525fbf-29
0.357
MAR-TRE-f6f5f473-38
0.355
MAR-TRE-9c797165-19
0.354
MAR-TRE-f6f5f473-21
0.351
MAR-TRE-04c86cea-22
0.348
MAR-TRE-b77b7921-82
0.348
MAR-TRE-f6f5f473-60
0.348
MAR-TRE-74c6519b-20
0.348
MAR-TRE-d0525fbf-73
0.347
MAR-TRE-74c6519b-40
0.345
MAR-TRE-74c6519b-15
0.345
MAR-TRE-74c6519b-33
0.345
MAR-TRE-4b834d9a-81
0.343
MAR-TRE-74c6519b-38
0.343
MAR-TRE-74c6519b-28
0.342
MAR-TRE-74c6519b-37
0.342
MAR-TRE-d0525fbf-56
0.342
JOH-UNI-e19b918c-9
0.341
MAR-TRE-d0525fbf-34
0.340
MAR-TRE-04c86cea-30
0.339
MAR-TRE-74c6519b-21
0.339
MAR-TRE-b77b7921-21
0.339
MAR-TRE-d0525fbf-42
0.339
MAR-TRE-4b834d9a-28
0.339
MAR-TRE-b77b7921-24
0.339
MAR-TRE-f6f5f473-48
0.339
MAR-TRE-3e4e6814-29
0.336
MAR-TRE-3e4e6814-11
0.336
MAR-TRE-74c6519b-31
0.336
MAR-TRE-74c6519b-89
0.336
MAR-TRE-04c86cea-42
0.336
MAR-TRE-b77b7921-28
0.336
MAR-TRE-3e4e6814-48
0.333
MAR-TRE-74c6519b-4
0.333
MAR-TRE-74c6519b-74
0.333
MAR-TRE-04c86cea-3
0.333
MAR-TRE-4b834d9a-50
0.333
MAR-TRE-b77b7921-13
0.333