Molecular Properties | |
SMILES: | Cc1ccc(CNC(=O)Cn2c(=O)n(Cc3ccncc3)c(=O)c3ncccc32)cc1 |
MW: | 415.16 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 98.88 |
cLogP: | 1.63 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3938867327 |
MolPort: | MolPort-003-122-358 |
Filter82_pyridinium
MAR-TRE-f6f5f473-21
0.817
MAR-TRE-d0525fbf-1
0.807
MAR-TRE-4b834d9a-52
0.793
MAR-TRE-b77b7921-45
0.767
MAR-TRE-04c86cea-3
0.736
MAR-TRE-04c86cea-66
0.719
MAR-TRE-3e4e6814-48
0.709
MAR-TRE-d0525fbf-29
0.678
MAR-TRE-74c6519b-40
0.678
MAR-TRE-04c86cea-2
0.656
MAR-TRE-74c6519b-28
0.644
MAR-TRE-74c6519b-33
0.641
MAR-TRE-74c6519b-37
0.634
MAR-TRE-74c6519b-74
0.633
MAR-TRE-3e4e6814-29
0.630
MAR-TRE-9c797165-19
0.622
MAR-TRE-3e4e6814-32
0.620
MAR-TRE-4b834d9a-81
0.618
MAR-TRE-74c6519b-2
0.617
MAR-TRE-74c6519b-32
0.613
MAR-TRE-b77b7921-46
0.609
MAR-TRE-d0525fbf-27
0.606
MAR-TRE-74c6519b-15
0.606
MAR-TRE-7f7bb9f0-52
0.604
MAR-TRE-d0525fbf-56
0.600
MAR-TRE-7f7bb9f0-77
0.598
MAR-TRE-74c6519b-31
0.596
MAR-TRE-d0525fbf-42
0.594
MAR-TRE-d0525fbf-47
0.591
MAR-TRE-74c6519b-1
0.589
MAR-TRE-b77b7921-36
0.589
MAR-TRE-d0525fbf-58
0.585
MAR-TRE-04c86cea-67
0.583
MAR-TRE-b77b7921-1
0.581
MAR-TRE-d0525fbf-48
0.579
MAR-TRE-7f7bb9f0-24
0.579
MAR-TRE-74c6519b-21
0.577
MAR-TRE-b77b7921-6
0.577
MAR-TRE-4b834d9a-19
0.568
MAR-TRE-7f7bb9f0-40
0.567
MAR-TRE-4b834d9a-50
0.564
MAR-TRE-04c86cea-23
0.562
MAR-TRE-d0525fbf-60
0.557
MAR-TRE-04c86cea-92
0.552
MAR-TRE-f6f5f473-7
0.532
MAR-TRE-74c6519b-20
0.525
MAR-TRE-3e4e6814-99
0.523
MAR-TRE-b77b7921-82
0.515
MAR-TRE-74c6519b-94
0.511
MAR-TRE-d0525fbf-25
0.505
MAR-TRE-b77b7921-57
0.505
MAR-TRE-d0525fbf-20
0.505
MAR-TRE-d0525fbf-86
0.500
MAR-TRE-74c6519b-62
0.500
MAR-TRE-f6f5f473-66
0.500
MAR-TRE-d0525fbf-31
0.500
MAR-TRE-b77b7921-42
0.495
MAR-TRE-74c6519b-4
0.495
MAR-TRE-74c6519b-39
0.495
MAR-TRE-7f7bb9f0-10
0.495
MAR-TRE-d0525fbf-17
0.490
MAR-TRE-04c86cea-30
0.490
MAR-TRE-d0525fbf-32
0.486
MAR-TRE-d0525fbf-15
0.486
MAR-TRE-4b834d9a-28
0.485
MAR-TRE-d0525fbf-61
0.485
MAR-TRE-4b834d9a-72
0.485
MAR-TRE-74c6519b-73
0.484
MAR-TRE-74c6519b-87
0.481
MAR-TRE-74c6519b-99
0.481
MAR-TRE-f6f5f473-18
0.481
MAR-TRE-b77b7921-28
0.481
MAR-TRE-04c86cea-24
0.481
MAR-TRE-b77b7921-25
0.480
MAR-TRE-4b834d9a-80
0.479
MAR-TRE-74c6519b-80
0.477
MAR-TRE-b77b7921-60
0.476
MAR-TRE-d0525fbf-57
0.476
MAR-TRE-b77b7921-50
0.475
MAR-TRE-3e4e6814-42
0.474
MAR-TRE-f6f5f473-86
0.473
MAR-TRE-f6f5f473-57
0.472
MAR-TRE-4b834d9a-41
0.471
MAR-TRE-f6f5f473-34
0.469
MAR-TRE-3e4e6814-83
0.467
MAR-TRE-04c86cea-43
0.462
MAR-TRE-f6f5f473-43
0.460
MAR-TRE-f6f5f473-3
0.457
MAR-TRE-04c86cea-99
0.457
MAR-TRE-04c86cea-59
0.456
MAR-TRE-04c86cea-22
0.456
MAR-TRE-f6f5f473-64
0.456
MAR-TRE-74c6519b-30
0.455
MAR-TRE-b77b7921-13
0.455
MAR-TRE-3e4e6814-46
0.453
MAR-TRE-3e4e6814-91
0.453
MAR-TRE-04c86cea-42
0.453
MAR-TRE-d0525fbf-73
0.452
MAR-TRE-3e4e6814-21
0.451
MAR-TRE-04c86cea-73
0.451