Molecular Properties | |
SMILES: | Cc1cccc(NC(=O)Cn2c(=O)n(Cc3cccs3)c(=O)c3ncccc32)c1 |
MW: | 406.11 |
Fraction sp3: | 0.14 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 85.99 |
cLogP: | 2.62 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-7849162287 |
MolPort: | MolPort-005-279-342 |
Filter82_pyridinium
MAR-TRE-f6f5f473-64
0.779
MAR-TRE-74c6519b-84
0.773
MAR-TRE-3e4e6814-29
0.739
MAR-TRE-04c86cea-43
0.722
MAR-TRE-f6f5f473-57
0.691
MAR-TRE-f6f5f473-5
0.685
MAR-TRE-f6f5f473-60
0.635
MAR-TRE-04c86cea-66
0.625
MAR-TRE-04c86cea-23
0.594
MAR-TRE-f6f5f473-15
0.594
MAR-TRE-d0525fbf-61
0.594
MAR-TRE-74c6519b-31
0.577
MAR-TRE-b77b7921-6
0.576
MAR-TRE-74c6519b-28
0.573
MAR-TRE-b77b7921-28
0.570
MAR-TRE-d0525fbf-58
0.567
MAR-TRE-3e4e6814-48
0.562
MAR-TRE-d0525fbf-48
0.561
MAR-TRE-04c86cea-29
0.558
MAR-TRE-04c86cea-42
0.554
MAR-TRE-3e4e6814-15
0.550
MAR-TRE-3e4e6814-40
0.550
MAR-TRE-b77b7921-60
0.549
MAR-TRE-74c6519b-62
0.544
MAR-TRE-3e4e6814-91
0.539
MAR-TRE-3e4e6814-83
0.539
MAR-TRE-74c6519b-87
0.538
MAR-TRE-d0525fbf-56
0.535
MAR-TRE-4b834d9a-81
0.531
MAR-TRE-7f7bb9f0-52
0.520
MAR-TRE-04c86cea-67
0.520
MAR-TRE-74c6519b-37
0.520
MAR-TRE-74c6519b-43
0.519
MAR-TRE-b77b7921-58
0.515
MAR-TRE-7f7bb9f0-77
0.515
MAR-TRE-74c6519b-74
0.515
MAR-TRE-74c6519b-33
0.510
MAR-TRE-74c6519b-99
0.509
MAR-TRE-7f7bb9f0-40
0.505
MAR-TRE-d0525fbf-20
0.505
MAR-TRE-b77b7921-82
0.500
MAR-TRE-04c86cea-99
0.500
MAR-TRE-d0525fbf-62
0.495
MAR-TRE-d0525fbf-76
0.495
MAR-TRE-d0525fbf-49
0.491
MAR-TRE-d0525fbf-25
0.490
MAR-TRE-b77b7921-57
0.490
MAR-TRE-3e4e6814-32
0.490
MAR-TRE-d0525fbf-31
0.486
MAR-TRE-4b834d9a-72
0.485
MAR-TRE-4b834d9a-19
0.484
MAR-TRE-b77b7921-65
0.481
MAR-TRE-04c86cea-24
0.481
MAR-TRE-74c6519b-15
0.481
MAR-TRE-d0525fbf-27
0.481
MAR-TRE-04c86cea-30
0.476
MAR-TRE-d0525fbf-42
0.472
MAR-TRE-74c6519b-21
0.458
MAR-TRE-7f7bb9f0-24
0.457
MAR-TRE-3e4e6814-11
0.457
MAR-TRE-74c6519b-32
0.457
MAR-TRE-3e4e6814-46
0.454
MAR-TRE-d0525fbf-47
0.452
MAR-TRE-74c6519b-34
0.445
MAR-TRE-04c86cea-22
0.443
MAR-TRE-74c6519b-80
0.438
MAR-TRE-d0525fbf-17
0.434
MAR-TRE-d0525fbf-15
0.432
MAR-TRE-9c797165-19
0.432
MAR-TRE-4b834d9a-41
0.430
MAR-TRE-4b834d9a-52
0.429
MAR-TRE-b77b7921-42
0.427
MAR-TRE-f6f5f473-18
0.427
MAR-TRE-3e4e6814-98
0.426
MAR-TRE-04c86cea-3
0.426
MAR-TRE-74c6519b-40
0.426
MAR-TRE-f6f5f473-38
0.425
MAR-TRE-b77b7921-45
0.422
MAR-TRE-f6f5f473-21
0.421
MAR-TRE-d0525fbf-40
0.418
MAR-TRE-04c86cea-59
0.417
MAR-TRE-d0525fbf-1
0.417
MAR-TRE-b77b7921-13
0.415
MAR-TRE-d0525fbf-13
0.414
MAR-TRE-d0525fbf-29
0.413
MAR-TRE-f6f5f473-49
0.412
MAR-TRE-f6f5f473-59
0.409
MAR-TRE-b77b7921-36
0.404
MAR-TRE-d0525fbf-34
0.402
MAR-TRE-b77b7921-1
0.402
MAR-TRE-4b834d9a-50
0.402
MAR-TRE-f6f5f473-7
0.400
MAR-TRE-d0525fbf-57
0.398
MAR-TRE-b77b7921-46
0.398
MAR-TRE-04c86cea-10
0.398
JAG-UCB-ef2c0e8e-3
0.398
MAR-TRE-04c86cea-8
0.394
MAR-TRE-d0525fbf-73
0.394
MAR-TRE-7f7bb9f0-10
0.392
MAR-TRE-d0525fbf-60
0.387