Molecular Properties | |
SMILES: | Cc1ccc(CNC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ncccc32)cc1 |
MW: | 414.17 |
Fraction sp3: | 0.17 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 85.99 |
cLogP: | 2.23 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9628272291 |
MolPort: | MolPort-003-108-018 |
Filter82_pyridinium
MAR-TRE-3e4e6814-11
0.817
MAR-TRE-04c86cea-2
0.805
MAR-TRE-b77b7921-45
0.776
MAR-TRE-04c86cea-3
0.744
MAR-TRE-4b834d9a-52
0.738
MAR-TRE-04c86cea-66
0.708
MAR-TRE-74c6519b-40
0.705
MAR-TRE-4b834d9a-50
0.698
MAR-TRE-b77b7921-46
0.690
MAR-TRE-04c86cea-92
0.682
MAR-TRE-f6f5f473-7
0.663
MAR-TRE-b77b7921-1
0.659
MAR-TRE-d0525fbf-1
0.656
MAR-TRE-04c86cea-23
0.637
MAR-TRE-74c6519b-2
0.624
MAR-TRE-4b834d9a-28
0.600
MAR-TRE-74c6519b-1
0.596
MAR-TRE-04c86cea-30
0.591
MAR-TRE-4b834d9a-72
0.587
MAR-TRE-d0525fbf-60
0.579
MAR-TRE-f6f5f473-18
0.577
MAR-TRE-04c86cea-67
0.573
MAR-TRE-3e4e6814-48
0.570
MAR-TRE-4b834d9a-41
0.568
MAR-TRE-74c6519b-21
0.567
MAR-TRE-b77b7921-6
0.567
MAR-TRE-d0525fbf-29
0.562
MAR-TRE-4b834d9a-19
0.557
MAR-TRE-b77b7921-60
0.556
MAR-TRE-b77b7921-82
0.552
MAR-TRE-b77b7921-25
0.546
MAR-TRE-74c6519b-20
0.545
MAR-TRE-4b834d9a-81
0.538
MAR-TRE-f6f5f473-34
0.521
MAR-TRE-74c6519b-28
0.515
MAR-TRE-74c6519b-33
0.515
MAR-TRE-3e4e6814-99
0.512
MAR-TRE-3e4e6814-32
0.510
MAR-TRE-74c6519b-37
0.510
MAR-TRE-f6f5f473-66
0.505
MAR-TRE-3e4e6814-30
0.505
MAR-TRE-74c6519b-74
0.505
MAR-TRE-3e4e6814-29
0.505
MAR-TRE-74c6519b-32
0.505
MAR-TRE-b77b7921-42
0.500
MAR-TRE-74c6519b-4
0.500
MAR-TRE-b77b7921-57
0.495
MAR-TRE-d0525fbf-25
0.495
MAR-TRE-d0525fbf-32
0.490
MAR-TRE-d0525fbf-42
0.490
MAR-TRE-d0525fbf-31
0.490
MAR-TRE-74c6519b-31
0.490
MAR-TRE-d0525fbf-61
0.490
MAR-TRE-f6f5f473-55
0.490
MAR-TRE-4b834d9a-34
0.489
MAR-TRE-74c6519b-73
0.489
MAR-TRE-b77b7921-28
0.485
MAR-TRE-d0525fbf-27
0.485
MAR-TRE-74c6519b-15
0.485
MAR-TRE-d0525fbf-47
0.485
MAR-TRE-9c797165-19
0.483
MAR-TRE-04c86cea-50
0.483
MAR-TRE-f6f5f473-48
0.481
MAR-TRE-d0525fbf-20
0.481
MAR-TRE-d0525fbf-57
0.481
MAR-TRE-d0525fbf-56
0.480
MAR-TRE-d0525fbf-17
0.480
MAR-TRE-7f7bb9f0-52
0.480
MAR-TRE-3e4e6814-42
0.479
MAR-TRE-f6f5f473-86
0.478
MAR-TRE-74c6519b-62
0.476
MAR-TRE-d0525fbf-15
0.476
MAR-TRE-7f7bb9f0-77
0.475
MAR-TRE-74c6519b-6
0.469
MAR-TRE-74c6519b-65
0.469
MAR-TRE-74c6519b-80
0.467
MAR-TRE-d0525fbf-58
0.465
MAR-TRE-f6f5f473-43
0.465
MAR-TRE-b77b7921-36
0.464
MAR-TRE-d0525fbf-48
0.461
MAR-TRE-04c86cea-59
0.461
MAR-TRE-7f7bb9f0-24
0.461
MAR-TRE-74c6519b-30
0.460
MAR-TRE-b77b7921-13
0.460
MAR-TRE-b77b7921-58
0.459
MAR-TRE-74c6519b-87
0.458
MAR-TRE-74c6519b-99
0.458
MAR-TRE-04c86cea-24
0.457
MAR-TRE-d0525fbf-73
0.457
MAR-TRE-3e4e6814-21
0.455
MAR-TRE-04c86cea-73
0.455
MAR-TRE-f6f5f473-88
0.455
MAR-TRE-7f7bb9f0-40
0.452
MAR-TRE-74c6519b-5
0.451
MAR-TRE-04c86cea-8
0.451
MAR-TRE-d0525fbf-40
0.448
MAR-TRE-04c86cea-99
0.448
MAR-TRE-04c86cea-22
0.447
MAR-TRE-3e4e6814-83
0.443
MAR-TRE-d0525fbf-13
0.443