Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(Cc2ccccn2)c(=O)c2ncccc21)Nc1ccc(F)cc1 |
MW: | 405.12 |
Fraction sp3: | 0.1 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 98.88 |
cLogP: | 1.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-2162706990 |
MolPort: | MolPort-003-122-149 |
Filter82_pyridinium
MAR-TRE-d0525fbf-62
0.825
MAR-TRE-b77b7921-58
0.797
MAR-TRE-3e4e6814-15
0.744
MAR-TRE-7f7bb9f0-77
0.726
MAR-TRE-4b834d9a-72
0.726
MAR-TRE-d0525fbf-49
0.719
MAR-TRE-74c6519b-1
0.693
MAR-TRE-3e4e6814-40
0.685
MAR-TRE-04c86cea-43
0.685
MAR-TRE-74c6519b-43
0.681
MAR-TRE-04c86cea-42
0.670
MAR-TRE-d0525fbf-31
0.659
MAR-TRE-04c86cea-22
0.644
MAR-TRE-04c86cea-99
0.641
MAR-TRE-d0525fbf-34
0.637
MAR-TRE-3e4e6814-46
0.617
MAR-TRE-04c86cea-24
0.617
MAR-TRE-b77b7921-1
0.611
MAR-TRE-b77b7921-76
0.607
MAR-TRE-04c86cea-10
0.604
MAR-TRE-74c6519b-34
0.604
MAR-TRE-7f7bb9f0-52
0.600
MAR-TRE-3e4e6814-48
0.593
MAR-TRE-74c6519b-4
0.585
MAR-TRE-04c86cea-3
0.585
MAR-TRE-4b834d9a-81
0.578
MAR-TRE-74c6519b-74
0.576
MAR-TRE-04c86cea-30
0.564
MAR-TRE-f6f5f473-19
0.554
MAR-TRE-f6f5f473-38
0.553
MAR-TRE-04c86cea-67
0.546
MAR-TRE-d0525fbf-25
0.546
MAR-TRE-d0525fbf-48
0.542
MAR-TRE-74c6519b-84
0.541
MAR-TRE-b77b7921-86
0.539
MAR-TRE-74c6519b-87
0.535
MAR-TRE-d0525fbf-17
0.531
MAR-TRE-7f7bb9f0-40
0.531
MAR-TRE-b77b7921-57
0.531
MAR-TRE-f6f5f473-64
0.526
MAR-TRE-b77b7921-82
0.526
MAR-TRE-b77b7921-51
0.522
MAR-TRE-74c6519b-28
0.521
MAR-TRE-74c6519b-38
0.511
MAR-TRE-7f7bb9f0-24
0.510
MAR-TRE-d0525fbf-1
0.510
MAR-TRE-4b834d9a-41
0.510
MAR-TRE-b77b7921-6
0.510
MAR-TRE-d0525fbf-47
0.505
MAR-TRE-3e4e6814-91
0.505
MAR-TRE-d0525fbf-56
0.500
MAR-TRE-d0525fbf-58
0.500
MAR-TRE-04c86cea-2
0.500
MAR-TRE-f6f5f473-86
0.500
MAR-TRE-f6f5f473-3
0.495
MAR-TRE-3e4e6814-29
0.495
MAR-TRE-74c6519b-31
0.495
MAR-TRE-f6f5f473-60
0.490
MAR-TRE-3e4e6814-98
0.490
MAR-TRE-04c86cea-29
0.490
MAR-TRE-b77b7921-60
0.485
MAR-TRE-f6f5f473-5
0.485
MAR-TRE-74c6519b-21
0.480
MAR-TRE-74c6519b-32
0.480
MAR-TRE-f6f5f473-49
0.479
MAR-TRE-d0525fbf-18
0.479
MAR-TRE-74c6519b-83
0.479
MAR-TRE-d0525fbf-60
0.475
MAR-TRE-b77b7921-62
0.474
MAR-TRE-d0525fbf-20
0.471
MAR-TRE-74c6519b-2
0.471
MAR-TRE-3e4e6814-32
0.470
MAR-TRE-3e4e6814-77
0.469
MAR-TRE-d0525fbf-15
0.467
MAR-TRE-74c6519b-99
0.462
MAR-TRE-3e4e6814-83
0.462
MAR-TRE-b77b7921-42
0.462
MAR-TRE-f6f5f473-10
0.459
MAR-TRE-74c6519b-37
0.456
MAR-TRE-f6f5f473-57
0.453
MAR-TRE-74c6519b-62
0.453
MAR-TRE-d0525fbf-32
0.453
MAR-TRE-04c86cea-23
0.451
MAR-TRE-4b834d9a-52
0.450
MAR-TRE-f6f5f473-7
0.449
MAR-TRE-4b834d9a-19
0.447
MAR-TRE-74c6519b-33
0.447
MAR-TRE-d0525fbf-27
0.447
MAR-TRE-74c6519b-15
0.447
MAR-TRE-9c797165-19
0.440
MAR-TRE-d0525fbf-42
0.438
MAR-TRE-f6f5f473-15
0.437
MAR-TRE-d0525fbf-61
0.437
MAR-TRE-b77b7921-65
0.435
MAR-TRE-b77b7921-28
0.434
MAR-TRE-f6f5f473-18
0.434
MAR-TRE-d0525fbf-29
0.433
MAR-TRE-04c86cea-66
0.425
MAR-TRE-3e4e6814-11
0.423
MAR-TRE-4b834d9a-50
0.422