Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)Cn2c(=O)n(Cc3cccnc3)c(=O)c3ncccc32)cc1Cl |
MW: | 435.11 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 98.88 |
cLogP: | 2.6 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4429778227 |
MolPort: | MolPort-003-122-247 |
Filter82_pyridinium
MAR-TRE-d0525fbf-56
0.807
MAR-TRE-3e4e6814-83
0.731
MAR-TRE-74c6519b-43
0.705
MAR-TRE-3e4e6814-91
0.695
MAR-TRE-74c6519b-80
0.684
MAR-TRE-7f7bb9f0-40
0.622
MAR-TRE-d0525fbf-20
0.604
MAR-TRE-d0525fbf-73
0.596
MAR-TRE-74c6519b-20
0.594
MAR-TRE-b77b7921-45
0.590
MAR-TRE-3e4e6814-48
0.588
MAR-TRE-b77b7921-13
0.588
MAR-TRE-04c86cea-59
0.586
MAR-TRE-3e4e6814-29
0.586
MAR-TRE-74c6519b-31
0.586
MAR-TRE-74c6519b-28
0.582
MAR-TRE-b77b7921-46
0.582
MAR-TRE-b77b7921-25
0.580
MAR-TRE-7f7bb9f0-52
0.577
MAR-TRE-04c86cea-8
0.576
MAR-TRE-d0525fbf-58
0.576
MAR-TRE-74c6519b-74
0.571
MAR-TRE-74c6519b-2
0.559
MAR-TRE-b77b7921-60
0.558
MAR-TRE-4b834d9a-81
0.557
MAR-TRE-7f7bb9f0-77
0.556
MAR-TRE-d0525fbf-48
0.554
MAR-TRE-d0525fbf-42
0.553
MAR-TRE-74c6519b-33
0.549
MAR-TRE-3e4e6814-32
0.545
MAR-TRE-04c86cea-30
0.545
MAR-TRE-d0525fbf-49
0.543
MAR-TRE-4b834d9a-72
0.540
MAR-TRE-74c6519b-62
0.538
MAR-TRE-d0525fbf-27
0.534
MAR-TRE-74c6519b-87
0.533
MAR-TRE-74c6519b-37
0.529
MAR-TRE-d0525fbf-25
0.529
MAR-TRE-04c86cea-67
0.529
MAR-TRE-b77b7921-33
0.526
MAR-TRE-04c86cea-50
0.522
MAR-TRE-f6f5f473-11
0.520
MAR-TRE-74c6519b-15
0.519
MAR-TRE-04c86cea-42
0.519
MAR-TRE-b77b7921-57
0.514
MAR-TRE-04c86cea-26
0.510
MAR-TRE-b77b7921-82
0.510
MAR-TRE-f6f5f473-3
0.509
MAR-TRE-d0525fbf-31
0.509
MAR-TRE-b77b7921-32
0.505
MAR-TRE-3e4e6814-40
0.500
MAR-TRE-04c86cea-43
0.500
MAR-TRE-b77b7921-49
0.500
MAR-TRE-74c6519b-32
0.495
MAR-TRE-f6f5f473-64
0.495
MAR-TRE-7f7bb9f0-24
0.495
MAR-TRE-d0525fbf-16
0.495
MAR-TRE-4b834d9a-19
0.495
MAR-TRE-d0525fbf-47
0.490
MAR-TRE-d0525fbf-62
0.490
MAR-TRE-74c6519b-84
0.481
MAR-TRE-74c6519b-21
0.481
MAR-TRE-3e4e6814-11
0.481
MAR-TRE-4b834d9a-41
0.481
MAR-TRE-4b834d9a-52
0.481
MAR-TRE-d0525fbf-29
0.477
MAR-TRE-9c797165-19
0.474
MAR-TRE-3e4e6814-15
0.472
MAR-TRE-f6f5f473-5
0.472
MAR-TRE-d0525fbf-17
0.472
MAR-TRE-74c6519b-34
0.468
MAR-TRE-f6f5f473-57
0.468
MAR-TRE-f6f5f473-7
0.466
MAR-TRE-b77b7921-58
0.466
MAR-TRE-d0525fbf-76
0.462
MAR-TRE-b77b7921-41
0.461
MAR-TRE-04c86cea-92
0.458
MAR-TRE-f6f5f473-21
0.458
MAR-TRE-d0525fbf-15
0.455
MAR-TRE-d0525fbf-1
0.454
MAR-TRE-b77b7921-65
0.451
MAR-TRE-b77b7921-42
0.450
MAR-TRE-04c86cea-24
0.450
MAR-TRE-f6f5f473-18
0.450
MAR-TRE-3e4e6814-46
0.450
MAR-TRE-b77b7921-36
0.442
MAR-TRE-04c86cea-99
0.441
MAR-TRE-4b834d9a-50
0.439
MAR-TRE-f6f5f473-60
0.438
MAR-TRE-3e4e6814-98
0.436
MAR-TRE-74c6519b-40
0.436
MAR-TRE-d0525fbf-57
0.434
MAR-TRE-04c86cea-2
0.431
MAR-TRE-4b834d9a-28
0.429
MAR-TRE-04c86cea-22
0.427
MAR-TRE-4b834d9a-80
0.417
MAR-TRE-04c86cea-66
0.416
MAR-TRE-d0525fbf-40
0.416
MAR-TRE-04c86cea-23
0.414
MAR-TRE-b77b7921-28
0.412