Molecular Properties | |
SMILES: | COc1cccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ncccc32)c1 |
MW: | 416.15 |
Fraction sp3: | 0.13 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 95.22 |
cLogP: | 2.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6709549352 |
MolPort: | MolPort-003-107-994 |
Filter82_pyridinium
MAR-TRE-74c6519b-87
0.820
MAR-TRE-b77b7921-65
0.761
MAR-TRE-b77b7921-82
0.685
MAR-TRE-74c6519b-62
0.677
MAR-TRE-04c86cea-30
0.674
MAR-TRE-4b834d9a-72
0.670
MAR-TRE-d0525fbf-20
0.649
MAR-TRE-74c6519b-31
0.649
MAR-TRE-4b834d9a-81
0.637
MAR-TRE-3e4e6814-29
0.632
MAR-TRE-d0525fbf-58
0.621
MAR-TRE-d0525fbf-25
0.619
MAR-TRE-d0525fbf-48
0.615
MAR-TRE-4b834d9a-41
0.615
MAR-TRE-d0525fbf-31
0.612
MAR-TRE-3e4e6814-83
0.606
MAR-TRE-04c86cea-67
0.602
MAR-TRE-b77b7921-57
0.602
MAR-TRE-04c86cea-42
0.590
MAR-TRE-3e4e6814-91
0.590
MAR-TRE-74c6519b-28
0.577
MAR-TRE-f6f5f473-18
0.574
MAR-TRE-7f7bb9f0-52
0.573
MAR-TRE-d0525fbf-56
0.570
MAR-TRE-f6f5f473-7
0.568
MAR-TRE-3e4e6814-48
0.567
MAR-TRE-74c6519b-74
0.567
MAR-TRE-7f7bb9f0-77
0.567
MAR-TRE-d0525fbf-15
0.563
MAR-TRE-3e4e6814-98
0.560
MAR-TRE-b77b7921-42
0.559
MAR-TRE-74c6519b-99
0.558
MAR-TRE-3e4e6814-32
0.556
MAR-TRE-04c86cea-2
0.556
MAR-TRE-f6f5f473-21
0.556
MAR-TRE-7f7bb9f0-40
0.554
MAR-TRE-3e4e6814-40
0.554
MAR-TRE-04c86cea-43
0.554
MAR-TRE-4b834d9a-34
0.554
MAR-TRE-4b834d9a-50
0.551
MAR-TRE-4b834d9a-52
0.551
MAR-TRE-f6f5f473-3
0.549
MAR-TRE-04c86cea-92
0.540
MAR-TRE-3e4e6814-15
0.539
MAR-TRE-4b834d9a-19
0.538
MAR-TRE-b77b7921-58
0.536
MAR-TRE-74c6519b-84
0.534
MAR-TRE-74c6519b-37
0.524
MAR-TRE-7f7bb9f0-24
0.520
MAR-TRE-74c6519b-32
0.520
MAR-TRE-d0525fbf-42
0.519
MAR-TRE-4b834d9a-28
0.519
MAR-TRE-d0525fbf-47
0.515
MAR-TRE-d0525fbf-27
0.515
MAR-TRE-74c6519b-15
0.515
MAR-TRE-74c6519b-33
0.515
MAR-TRE-3e4e6814-99
0.511
MAR-TRE-d0525fbf-17
0.510
MAR-TRE-74c6519b-43
0.509
MAR-TRE-3e4e6814-30
0.505
MAR-TRE-74c6519b-21
0.505
MAR-TRE-d0525fbf-62
0.500
MAR-TRE-b77b7921-46
0.500
MAR-TRE-f6f5f473-48
0.495
MAR-TRE-74c6519b-80
0.495
MAR-TRE-d0525fbf-49
0.495
MAR-TRE-f6f5f473-64
0.490
MAR-TRE-b77b7921-25
0.486
MAR-TRE-d0525fbf-76
0.485
MAR-TRE-9c797165-19
0.484
MAR-TRE-f6f5f473-5
0.481
MAR-TRE-d0525fbf-1
0.476
MAR-TRE-04c86cea-23
0.476
MAR-TRE-3e4e6814-11
0.476
MAR-TRE-d0525fbf-29
0.472
MAR-TRE-7f7bb9f0-10
0.469
MAR-TRE-04c86cea-50
0.468
MAR-TRE-b77b7921-1
0.462
MAR-TRE-f6f5f473-60
0.459
MAR-TRE-d0525fbf-60
0.458
MAR-TRE-74c6519b-40
0.458
MAR-TRE-74c6519b-65
0.455
MAR-TRE-b77b7921-36
0.451
MAR-TRE-f6f5f473-57
0.450
MAR-TRE-74c6519b-34
0.450
MAR-TRE-d0525fbf-46
0.450
MAR-TRE-04c86cea-99
0.450
MAR-TRE-04c86cea-22
0.449
MAR-TRE-b77b7921-13
0.448
MAR-TRE-d0525fbf-67
0.446
MAR-TRE-3e4e6814-46
0.445
MAR-TRE-04c86cea-24
0.445
MAR-TRE-74c6519b-20
0.445
MAR-TRE-d0525fbf-59
0.444
MAR-TRE-d0525fbf-73
0.443
MAR-TRE-74c6519b-2
0.440
MAR-TRE-b77b7921-45
0.440
MAR-TRE-04c86cea-8
0.439
MAR-TRE-74c6519b-88
0.438
MAR-TRE-d0525fbf-40
0.436