Molecular Properties | |
SMILES: | COc1ccc(Cn2c(=O)c3ncccc3n(CC(=O)Nc3ccc(Cl)c(Cl)c3)c2=O)cc1 |
MW: | 484.07 |
Fraction sp3: | 0.13 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 95.22 |
cLogP: | 3.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7087745742 |
MolPort: | MolPort-003-371-661 |
Filter82_pyridinium
MAR-TRE-74c6519b-62
0.769
MAR-TRE-d0525fbf-25
0.764
MAR-TRE-b77b7921-57
0.744
MAR-TRE-04c86cea-67
0.744
MAR-TRE-b77b7921-82
0.742
MAR-TRE-d0525fbf-31
0.736
MAR-TRE-74c6519b-87
0.670
MAR-TRE-d0525fbf-15
0.660
MAR-TRE-b77b7921-42
0.656
MAR-TRE-d0525fbf-56
0.653
MAR-TRE-b77b7921-60
0.649
MAR-TRE-7f7bb9f0-40
0.635
MAR-TRE-74c6519b-99
0.604
MAR-TRE-74c6519b-74
0.600
MAR-TRE-7f7bb9f0-52
0.589
MAR-TRE-d0525fbf-58
0.588
MAR-TRE-3e4e6814-48
0.583
MAR-TRE-74c6519b-31
0.582
MAR-TRE-3e4e6814-29
0.582
MAR-TRE-74c6519b-28
0.577
MAR-TRE-4b834d9a-19
0.571
MAR-TRE-d0525fbf-59
0.571
MAR-TRE-74c6519b-43
0.569
MAR-TRE-4b834d9a-81
0.568
MAR-TRE-7f7bb9f0-77
0.567
MAR-TRE-d0525fbf-48
0.566
MAR-TRE-04c86cea-30
0.556
MAR-TRE-d0525fbf-49
0.553
MAR-TRE-4b834d9a-72
0.551
MAR-TRE-3e4e6814-98
0.545
MAR-TRE-3e4e6814-83
0.544
MAR-TRE-d0525fbf-27
0.529
MAR-TRE-d0525fbf-17
0.525
MAR-TRE-3e4e6814-32
0.525
MAR-TRE-d0525fbf-42
0.519
MAR-TRE-74c6519b-21
0.519
MAR-TRE-74c6519b-33
0.515
MAR-TRE-04c86cea-42
0.514
MAR-TRE-3e4e6814-91
0.514
MAR-TRE-b77b7921-65
0.514
MAR-TRE-74c6519b-37
0.510
MAR-TRE-3e4e6814-40
0.510
MAR-TRE-f6f5f473-48
0.509
MAR-TRE-7f7bb9f0-24
0.505
MAR-TRE-74c6519b-32
0.505
MAR-TRE-3e4e6814-11
0.505
MAR-TRE-f6f5f473-3
0.505
MAR-TRE-d0525fbf-47
0.500
MAR-TRE-d0525fbf-62
0.500
MAR-TRE-74c6519b-15
0.500
MAR-TRE-04c86cea-43
0.495
MAR-TRE-d0525fbf-46
0.495
MAR-TRE-74c6519b-84
0.491
MAR-TRE-d0525fbf-1
0.490
MAR-TRE-4b834d9a-41
0.490
MAR-TRE-f6f5f473-64
0.490
MAR-TRE-4b834d9a-52
0.490
MAR-TRE-d0525fbf-86
0.490
MAR-TRE-d0525fbf-29
0.486
MAR-TRE-74c6519b-40
0.486
MAR-TRE-7f7bb9f0-10
0.485
MAR-TRE-9c797165-19
0.484
MAR-TRE-3e4e6814-15
0.481
MAR-TRE-f6f5f473-21
0.481
MAR-TRE-b77b7921-36
0.480
MAR-TRE-3e4e6814-42
0.480
MAR-TRE-b77b7921-58
0.475
MAR-TRE-d0525fbf-67
0.475
MAR-TRE-f6f5f473-18
0.472
MAR-TRE-d0525fbf-60
0.472
MAR-TRE-d0525fbf-76
0.471
MAR-TRE-74c6519b-80
0.468
MAR-TRE-04c86cea-2
0.467
MAR-TRE-04c86cea-92
0.467
MAR-TRE-4b834d9a-50
0.462
MAR-TRE-f6f5f473-7
0.461
MAR-TRE-4b834d9a-34
0.459
MAR-TRE-f6f5f473-5
0.454
MAR-TRE-f6f5f473-57
0.450
MAR-TRE-d0525fbf-40
0.450
MAR-TRE-d0525fbf-13
0.445
MAR-TRE-3e4e6814-46
0.445
MAR-TRE-f6f5f473-60
0.445
MAR-TRE-d0525fbf-57
0.441
MAR-TRE-b77b7921-45
0.440
MAR-TRE-d0525fbf-32
0.438
MAR-TRE-74c6519b-34
0.438
MAR-TRE-04c86cea-66
0.436
MAR-TRE-04c86cea-22
0.435
MAR-TRE-74c6519b-20
0.432
MAR-TRE-04c86cea-24
0.432
MAR-TRE-b77b7921-46
0.430
MAR-TRE-74c6519b-2
0.427
MAR-TRE-4b834d9a-28
0.423
MAR-TRE-b77b7921-6
0.423
MAR-TRE-04c86cea-99
0.423
MAR-TRE-04c86cea-23
0.422
MAR-TRE-b77b7921-13
0.421
MAR-TRE-b77b7921-28
0.420
MAR-TRE-04c86cea-3
0.418