Molecular Properties | |
SMILES: | COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccc(C)cc3)c2=O)cc1 |
MW: | 430.16 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 95.22 |
cLogP: | 2.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-5529722891 |
MolPort: | MolPort-003-591-942 |
Filter82_pyridinium
MAR-TRE-b77b7921-57
0.833
MAR-TRE-d0525fbf-25
0.833
MAR-TRE-d0525fbf-31
0.824
MAR-TRE-b77b7921-82
0.810
MAR-TRE-3e4e6814-48
0.774
MAR-TRE-d0525fbf-20
0.744
MAR-TRE-74c6519b-62
0.717
MAR-TRE-b77b7921-42
0.677
MAR-TRE-d0525fbf-15
0.663
MAR-TRE-74c6519b-74
0.656
MAR-TRE-7f7bb9f0-52
0.626
MAR-TRE-04c86cea-30
0.624
MAR-TRE-74c6519b-87
0.622
MAR-TRE-7f7bb9f0-77
0.620
MAR-TRE-4b834d9a-72
0.620
MAR-TRE-3e4e6814-98
0.611
MAR-TRE-4b834d9a-81
0.604
MAR-TRE-b77b7921-60
0.602
MAR-TRE-74c6519b-21
0.598
MAR-TRE-74c6519b-28
0.596
MAR-TRE-3e4e6814-29
0.583
MAR-TRE-3e4e6814-11
0.583
MAR-TRE-74c6519b-40
0.577
MAR-TRE-4b834d9a-19
0.573
MAR-TRE-f6f5f473-21
0.573
MAR-TRE-d0525fbf-56
0.571
MAR-TRE-d0525fbf-62
0.562
MAR-TRE-d0525fbf-59
0.556
MAR-TRE-74c6519b-31
0.551
MAR-TRE-d0525fbf-76
0.546
MAR-TRE-74c6519b-33
0.545
MAR-TRE-3e4e6814-42
0.543
MAR-TRE-d0525fbf-58
0.541
MAR-TRE-74c6519b-37
0.540
MAR-TRE-7f7bb9f0-40
0.540
MAR-TRE-b77b7921-58
0.537
MAR-TRE-d0525fbf-48
0.535
MAR-TRE-f6f5f473-64
0.535
MAR-TRE-04c86cea-66
0.535
MAR-TRE-74c6519b-99
0.529
MAR-TRE-3e4e6814-32
0.525
MAR-TRE-d0525fbf-17
0.525
MAR-TRE-b77b7921-45
0.525
MAR-TRE-f6f5f473-48
0.523
MAR-TRE-f6f5f473-3
0.520
MAR-TRE-d0525fbf-27
0.515
MAR-TRE-74c6519b-15
0.515
MAR-TRE-04c86cea-3
0.515
MAR-TRE-04c86cea-43
0.510
MAR-TRE-74c6519b-43
0.510
MAR-TRE-74c6519b-32
0.505
MAR-TRE-d0525fbf-42
0.505
MAR-TRE-f6f5f473-57
0.505
MAR-TRE-04c86cea-42
0.500
MAR-TRE-d0525fbf-47
0.500
MAR-TRE-3e4e6814-83
0.500
MAR-TRE-4b834d9a-41
0.490
MAR-TRE-7f7bb9f0-24
0.490
MAR-TRE-d0525fbf-1
0.490
MAR-TRE-4b834d9a-52
0.490
MAR-TRE-f6f5f473-7
0.490
MAR-TRE-b77b7921-65
0.486
MAR-TRE-3e4e6814-91
0.486
MAR-TRE-04c86cea-24
0.486
MAR-TRE-f6f5f473-18
0.486
MAR-TRE-d0525fbf-60
0.485
MAR-TRE-9c797165-19
0.484
MAR-TRE-d0525fbf-49
0.481
MAR-TRE-3e4e6814-40
0.481
MAR-TRE-f6f5f473-5
0.481
MAR-TRE-04c86cea-2
0.480
MAR-TRE-b77b7921-36
0.480
MAR-TRE-74c6519b-84
0.476
MAR-TRE-04c86cea-99
0.476
MAR-TRE-4b834d9a-50
0.475
MAR-TRE-f6f5f473-60
0.472
MAR-TRE-74c6519b-80
0.468
MAR-TRE-3e4e6814-15
0.467
MAR-TRE-d0525fbf-46
0.464
MAR-TRE-f6f5f473-86
0.463
MAR-TRE-04c86cea-22
0.462
MAR-TRE-d0525fbf-67
0.459
MAR-TRE-3e4e6814-46
0.458
MAR-TRE-d0525fbf-29
0.457
MAR-TRE-7f7bb9f0-10
0.454
MAR-TRE-04c86cea-92
0.452
MAR-TRE-d0525fbf-32
0.450
MAR-TRE-74c6519b-34
0.450
MAR-TRE-b77b7921-6
0.449
MAR-TRE-04c86cea-23
0.448
MAR-TRE-4b834d9a-34
0.443
MAR-TRE-b77b7921-46
0.442
MAR-TRE-74c6519b-2
0.439
MAR-TRE-d0525fbf-40
0.435
MAR-TRE-4b834d9a-28
0.435
MAR-TRE-d0525fbf-61
0.434
MAR-TRE-04c86cea-59
0.434
MAR-TRE-3e4e6814-30
0.433
MAR-TRE-b77b7921-1
0.433
MAR-TRE-b77b7921-13
0.433