Molecular Properties | |
SMILES: | COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccc(F)cc3)c2=O)cc1 |
MW: | 434.14 |
Fraction sp3: | 0.13 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 95.22 |
cLogP: | 2.39 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6846763565 |
MolPort: | MolPort-003-108-035 |
Filter82_pyridinium
MAR-TRE-d0525fbf-25
0.845
MAR-TRE-04c86cea-67
0.824
MAR-TRE-b77b7921-57
0.824
MAR-TRE-b77b7921-82
0.800
MAR-TRE-4b834d9a-72
0.765
MAR-TRE-7f7bb9f0-77
0.765
MAR-TRE-d0525fbf-20
0.736
MAR-TRE-d0525fbf-15
0.728
MAR-TRE-74c6519b-87
0.720
MAR-TRE-74c6519b-62
0.710
MAR-TRE-b77b7921-42
0.707
MAR-TRE-d0525fbf-76
0.659
MAR-TRE-74c6519b-74
0.648
MAR-TRE-7f7bb9f0-52
0.637
MAR-TRE-3e4e6814-48
0.630
MAR-TRE-04c86cea-30
0.617
MAR-TRE-d0525fbf-17
0.617
MAR-TRE-b77b7921-60
0.612
MAR-TRE-3e4e6814-98
0.604
MAR-TRE-4b834d9a-81
0.598
MAR-TRE-d0525fbf-1
0.577
MAR-TRE-d0525fbf-48
0.577
MAR-TRE-74c6519b-21
0.576
MAR-TRE-74c6519b-28
0.573
MAR-TRE-d0525fbf-60
0.571
MAR-TRE-04c86cea-2
0.567
MAR-TRE-4b834d9a-19
0.567
MAR-TRE-7f7bb9f0-40
0.566
MAR-TRE-d0525fbf-62
0.557
MAR-TRE-d0525fbf-56
0.550
MAR-TRE-d0525fbf-59
0.549
MAR-TRE-d0525fbf-67
0.548
MAR-TRE-4b834d9a-41
0.545
MAR-TRE-3e4e6814-29
0.545
MAR-TRE-74c6519b-31
0.545
MAR-TRE-7f7bb9f0-24
0.545
MAR-TRE-d0525fbf-58
0.535
MAR-TRE-b77b7921-6
0.529
MAR-TRE-d0525fbf-32
0.529
MAR-TRE-d0525fbf-47
0.525
MAR-TRE-3e4e6814-91
0.524
MAR-TRE-74c6519b-2
0.520
MAR-TRE-f6f5f473-48
0.519
MAR-TRE-b77b7921-58
0.515
MAR-TRE-f6f5f473-64
0.515
MAR-TRE-74c6519b-84
0.515
MAR-TRE-74c6519b-99
0.509
MAR-TRE-3e4e6814-32
0.505
MAR-TRE-74c6519b-37
0.505
MAR-TRE-3e4e6814-11
0.500
MAR-TRE-74c6519b-32
0.500
MAR-TRE-b77b7921-65
0.495
MAR-TRE-3e4e6814-83
0.495
MAR-TRE-d0525fbf-27
0.495
MAR-TRE-74c6519b-1
0.495
MAR-TRE-74c6519b-15
0.495
MAR-TRE-74c6519b-33
0.495
MAR-TRE-74c6519b-40
0.495
MAR-TRE-d0525fbf-49
0.491
MAR-TRE-3e4e6814-15
0.490
MAR-TRE-f6f5f473-21
0.490
MAR-TRE-f6f5f473-3
0.486
MAR-TRE-d0525fbf-42
0.486
MAR-TRE-4b834d9a-52
0.485
MAR-TRE-f6f5f473-7
0.485
MAR-TRE-f6f5f473-18
0.481
MAR-TRE-04c86cea-42
0.481
MAR-TRE-04c86cea-29
0.480
MAR-TRE-9c797165-19
0.478
MAR-TRE-74c6519b-43
0.477
MAR-TRE-b77b7921-36
0.475
MAR-TRE-4b834d9a-50
0.471
MAR-TRE-f6f5f473-60
0.467
MAR-TRE-f6f5f473-5
0.462
MAR-TRE-3e4e6814-40
0.462
MAR-TRE-04c86cea-43
0.462
MAR-TRE-d0525fbf-46
0.459
MAR-TRE-3e4e6814-42
0.459
MAR-TRE-f6f5f473-57
0.459
MAR-TRE-b77b7921-49
0.458
MAR-TRE-04c86cea-66
0.458
MAR-TRE-d0525fbf-29
0.453
MAR-TRE-74c6519b-80
0.450
MAR-TRE-7f7bb9f0-10
0.449
MAR-TRE-b77b7921-45
0.449
MAR-TRE-04c86cea-92
0.448
MAR-TRE-04c86cea-23
0.443
MAR-TRE-04c86cea-22
0.443
MAR-TRE-b77b7921-76
0.443
MAR-TRE-b77b7921-13
0.442
MAR-TRE-4b834d9a-34
0.439
MAR-TRE-b77b7921-46
0.438
MAR-TRE-04c86cea-99
0.431
MAR-TRE-d0525fbf-40
0.431
MAR-TRE-4b834d9a-28
0.431
MAR-TRE-d0525fbf-61
0.430
MAR-TRE-3e4e6814-30
0.429
MAR-TRE-d0525fbf-13
0.427
MAR-TRE-3e4e6814-46
0.427
MAR-TRE-04c86cea-24
0.427