Molecular Properties | |
SMILES: | O=C(Cn1c(=O)n(Cc2ccncc2)c(=O)c2ncccc21)Nc1ccccc1F |
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-5696823775 |
MolPort: | MolPort-003-122-332 |
Filter82_pyridinium
MAR-TRE-3e4e6814-32
0.771
MAR-TRE-b77b7921-42
0.767
MAR-TRE-7f7bb9f0-24
0.762
MAR-TRE-74c6519b-32
0.741
MAR-TRE-74c6519b-15
0.693
MAR-TRE-d0525fbf-27
0.693
MAR-TRE-4b834d9a-81
0.690
MAR-TRE-7f7bb9f0-77
0.686
MAR-TRE-d0525fbf-42
0.678
MAR-TRE-7f7bb9f0-52
0.674
MAR-TRE-74c6519b-33
0.674
MAR-TRE-74c6519b-37
0.667
MAR-TRE-7f7bb9f0-40
0.667
MAR-TRE-d0525fbf-48
0.663
MAR-TRE-3e4e6814-48
0.648
MAR-TRE-74c6519b-74
0.648
MAR-TRE-4b834d9a-41
0.644
MAR-TRE-74c6519b-28
0.640
MAR-TRE-9c797165-19
0.637
MAR-TRE-d0525fbf-17
0.633
MAR-TRE-d0525fbf-58
0.633
MAR-TRE-4b834d9a-52
0.629
MAR-TRE-74c6519b-31
0.626
MAR-TRE-d0525fbf-1
0.626
MAR-TRE-3e4e6814-29
0.626
MAR-TRE-d0525fbf-56
0.613
MAR-TRE-74c6519b-21
0.606
MAR-TRE-d0525fbf-29
0.602
MAR-TRE-3e4e6814-11
0.591
MAR-TRE-d0525fbf-15
0.588
MAR-TRE-4b834d9a-72
0.576
MAR-TRE-f6f5f473-18
0.567
MAR-TRE-b77b7921-36
0.567
MAR-TRE-4b834d9a-19
0.563
MAR-TRE-04c86cea-22
0.558
MAR-TRE-3e4e6814-99
0.554
MAR-TRE-f6f5f473-5
0.546
MAR-TRE-74c6519b-80
0.545
MAR-TRE-f6f5f473-60
0.535
MAR-TRE-3e4e6814-46
0.535
MAR-TRE-04c86cea-30
0.531
MAR-TRE-b77b7921-82
0.526
MAR-TRE-d0525fbf-31
0.525
MAR-TRE-74c6519b-34
0.525
MAR-TRE-3e4e6814-91
0.520
MAR-TRE-04c86cea-24
0.520
MAR-TRE-74c6519b-87
0.520
MAR-TRE-04c86cea-2
0.515
MAR-TRE-d0525fbf-25
0.515
MAR-TRE-d0525fbf-49
0.515
MAR-TRE-b77b7921-60
0.515
MAR-TRE-f6f5f473-7
0.511
MAR-TRE-7f7bb9f0-10
0.505
MAR-TRE-74c6519b-94
0.505
MAR-TRE-d0525fbf-76
0.505
MAR-TRE-d0525fbf-62
0.505
MAR-TRE-3e4e6814-83
0.505
MAR-TRE-3e4e6814-15
0.500
MAR-TRE-b77b7921-57
0.500
MAR-TRE-04c86cea-67
0.500
MAR-TRE-d0525fbf-20
0.500
MAR-TRE-74c6519b-62
0.495
MAR-TRE-f6f5f473-57
0.495
MAR-TRE-04c86cea-99
0.495
MAR-TRE-4b834d9a-50
0.495
MAR-TRE-b77b7921-58
0.495
MAR-TRE-d0525fbf-86
0.495
MAR-TRE-74c6519b-99
0.490
MAR-TRE-04c86cea-42
0.490
MAR-TRE-d0525fbf-60
0.490
MAR-TRE-4b834d9a-80
0.489
MAR-TRE-3e4e6814-40
0.485
MAR-TRE-04c86cea-92
0.485
MAR-TRE-f6f5f473-21
0.485
MAR-TRE-d0525fbf-32
0.481
MAR-TRE-4b834d9a-28
0.480
MAR-TRE-74c6519b-84
0.480
MAR-TRE-b77b7921-46
0.475
MAR-TRE-74c6519b-43
0.471
MAR-TRE-74c6519b-2
0.471
MAR-TRE-04c86cea-43
0.471
MAR-TRE-b77b7921-50
0.469
MAR-TRE-b77b7921-13
0.465
MAR-TRE-d0525fbf-73
0.462
MAR-TRE-74c6519b-20
0.462
MAR-TRE-74c6519b-1
0.461
MAR-TRE-74c6519b-40
0.461
MAR-TRE-b77b7921-25
0.461
MAR-TRE-04c86cea-8
0.455
MAR-TRE-f6f5f473-3
0.452
MAR-TRE-f6f5f473-64
0.451
MAR-TRE-b77b7921-1
0.450
MAR-TRE-b77b7921-45
0.442
MAR-TRE-d0525fbf-34
0.440
MAR-TRE-d0525fbf-40
0.438
MAR-TRE-b77b7921-6
0.438
MAR-TRE-04c86cea-23
0.437
MAR-TRE-04c86cea-3
0.433
MAR-TRE-74c6519b-4
0.433
MAR-TRE-04c86cea-10
0.431