Molecular Properties | |
SMILES: | Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)c(C)c1 |
MW: | 415.16 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 98.88 |
cLogP: | 2.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4971745179 |
MolPort: | MolPort-003-122-143 |
Filter82_pyridinium
MAR-TRE-04c86cea-24
0.764
MAR-TRE-74c6519b-37
0.742
MAR-TRE-74c6519b-34
0.691
MAR-TRE-04c86cea-43
0.685
MAR-TRE-04c86cea-22
0.681
MAR-TRE-f6f5f473-38
0.678
MAR-TRE-3e4e6814-46
0.670
MAR-TRE-04c86cea-42
0.653
MAR-TRE-b77b7921-58
0.652
MAR-TRE-74c6519b-43
0.646
MAR-TRE-d0525fbf-76
0.641
MAR-TRE-3e4e6814-15
0.632
MAR-TRE-d0525fbf-62
0.624
MAR-TRE-04c86cea-3
0.621
MAR-TRE-3e4e6814-40
0.615
MAR-TRE-d0525fbf-34
0.600
MAR-TRE-d0525fbf-49
0.596
MAR-TRE-3e4e6814-32
0.583
MAR-TRE-f6f5f473-5
0.582
MAR-TRE-b77b7921-1
0.579
MAR-TRE-04c86cea-10
0.573
MAR-TRE-74c6519b-33
0.571
MAR-TRE-f6f5f473-57
0.559
MAR-TRE-74c6519b-1
0.556
MAR-TRE-74c6519b-4
0.556
MAR-TRE-f6f5f473-49
0.548
MAR-TRE-f6f5f473-19
0.542
MAR-TRE-f6f5f473-86
0.538
MAR-TRE-74c6519b-21
0.529
MAR-TRE-3e4e6814-48
0.515
MAR-TRE-74c6519b-32
0.515
MAR-TRE-d0525fbf-42
0.515
MAR-TRE-74c6519b-15
0.510
MAR-TRE-f6f5f473-60
0.510
MAR-TRE-3e4e6814-29
0.500
MAR-TRE-f6f5f473-3
0.500
MAR-TRE-f6f5f473-64
0.500
MAR-TRE-7f7bb9f0-24
0.500
MAR-TRE-4b834d9a-41
0.500
MAR-TRE-d0525fbf-27
0.495
MAR-TRE-d0525fbf-47
0.495
MAR-TRE-74c6519b-28
0.495
MAR-TRE-d0525fbf-17
0.490
MAR-TRE-74c6519b-31
0.485
MAR-TRE-d0525fbf-18
0.485
MAR-TRE-74c6519b-80
0.477
MAR-TRE-d0525fbf-56
0.476
MAR-TRE-04c86cea-67
0.476
MAR-TRE-04c86cea-30
0.476
MAR-TRE-b77b7921-76
0.474
MAR-TRE-d0525fbf-15
0.472
MAR-TRE-74c6519b-74
0.471
MAR-TRE-4b834d9a-81
0.470
MAR-TRE-74c6519b-83
0.469
MAR-TRE-b77b7921-42
0.467
MAR-TRE-b77b7921-62
0.465
MAR-TRE-b77b7921-51
0.465
MAR-TRE-b77b7921-86
0.464
MAR-TRE-3e4e6814-77
0.460
MAR-TRE-74c6519b-84
0.458
MAR-TRE-3e4e6814-11
0.457
MAR-TRE-04c86cea-59
0.457
MAR-TRE-d0525fbf-48
0.457
MAR-TRE-7f7bb9f0-77
0.456
MAR-TRE-4b834d9a-72
0.456
MAR-TRE-74c6519b-38
0.455
MAR-TRE-f6f5f473-18
0.454
MAR-TRE-b77b7921-60
0.450
MAR-TRE-f6f5f473-21
0.448
MAR-TRE-d0525fbf-58
0.448
MAR-TRE-7f7bb9f0-52
0.447
MAR-TRE-04c86cea-66
0.444
MAR-TRE-b77b7921-82
0.443
MAR-TRE-74c6519b-99
0.441
MAR-TRE-4b834d9a-19
0.439
MAR-TRE-f6f5f473-10
0.437
MAR-TRE-7f7bb9f0-40
0.435
MAR-TRE-d0525fbf-31
0.431
MAR-TRE-4b834d9a-52
0.429
MAR-TRE-74c6519b-87
0.429
MAR-TRE-3e4e6814-91
0.427
MAR-TRE-74c6519b-40
0.426
MAR-TRE-d0525fbf-20
0.423
MAR-TRE-b77b7921-45
0.422
MAR-TRE-b77b7921-57
0.422
MAR-TRE-d0525fbf-25
0.422
MAR-TRE-74c6519b-62
0.420
MAR-TRE-04c86cea-23
0.417
MAR-TRE-9c797165-19
0.417
MAR-TRE-3e4e6814-83
0.414
MAR-TRE-f6f5f473-7
0.413
MAR-TRE-d0525fbf-29
0.413
MAR-TRE-d0525fbf-61
0.404
MAR-TRE-f6f5f473-15
0.404
MAR-TRE-d0525fbf-1
0.404
MAR-TRE-b77b7921-65
0.404
MAR-TRE-4b834d9a-50
0.402
MAR-TRE-b77b7921-13
0.402
MAR-TRE-b77b7921-28
0.402
MAR-TRE-3e4e6814-98
0.400