Molecular Properties | |
SMILES: | CCc1cccc(NC(=O)Cn2c(=O)n(Cc3ccccn3)c(=O)c3ncccc32)c1 |
MW: | 415.16 |
Fraction sp3: | 0.17 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 98.88 |
cLogP: | 2.2 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-8455540789 |
MolPort: | MolPort-003-122-130 |
Filter82_pyridinium
MAR-TRE-04c86cea-43
0.773
MAR-TRE-74c6519b-31
0.770
MAR-TRE-3e4e6814-15
0.753
MAR-TRE-3e4e6814-40
0.753
MAR-TRE-b77b7921-58
0.721
MAR-TRE-74c6519b-43
0.691
MAR-TRE-d0525fbf-62
0.689
MAR-TRE-d0525fbf-49
0.674
MAR-TRE-d0525fbf-76
0.670
MAR-TRE-04c86cea-22
0.656
MAR-TRE-04c86cea-99
0.653
MAR-TRE-3e4e6814-46
0.612
MAR-TRE-04c86cea-24
0.612
MAR-TRE-d0525fbf-34
0.612
MAR-TRE-b77b7921-1
0.606
MAR-TRE-3e4e6814-29
0.604
MAR-TRE-f6f5f473-19
0.602
MAR-TRE-74c6519b-34
0.600
MAR-TRE-d0525fbf-58
0.594
MAR-TRE-b77b7921-60
0.590
MAR-TRE-d0525fbf-48
0.588
MAR-TRE-04c86cea-3
0.582
MAR-TRE-4b834d9a-81
0.574
MAR-TRE-74c6519b-74
0.573
MAR-TRE-04c86cea-10
0.567
MAR-TRE-74c6519b-1
0.566
MAR-TRE-3e4e6814-83
0.564
MAR-TRE-3e4e6814-91
0.564
MAR-TRE-3e4e6814-48
0.557
MAR-TRE-f6f5f473-3
0.554
MAR-TRE-74c6519b-62
0.553
MAR-TRE-74c6519b-28
0.551
MAR-TRE-f6f5f473-38
0.551
MAR-TRE-74c6519b-4
0.550
MAR-TRE-74c6519b-87
0.548
MAR-TRE-7f7bb9f0-52
0.546
MAR-TRE-d0525fbf-56
0.545
MAR-TRE-74c6519b-84
0.539
MAR-TRE-3e4e6814-32
0.530
MAR-TRE-04c86cea-30
0.530
MAR-TRE-7f7bb9f0-40
0.529
MAR-TRE-f6f5f473-49
0.526
MAR-TRE-4b834d9a-72
0.525
MAR-TRE-7f7bb9f0-77
0.525
MAR-TRE-74c6519b-32
0.525
MAR-TRE-b77b7921-82
0.525
MAR-TRE-74c6519b-99
0.519
MAR-TRE-74c6519b-37
0.515
MAR-TRE-d0525fbf-20
0.514
MAR-TRE-b77b7921-62
0.505
MAR-TRE-b77b7921-51
0.505
MAR-TRE-b77b7921-65
0.505
MAR-TRE-d0525fbf-25
0.500
MAR-TRE-04c86cea-67
0.500
MAR-TRE-f6f5f473-86
0.500
MAR-TRE-f6f5f473-64
0.495
MAR-TRE-d0525fbf-18
0.495
MAR-TRE-f6f5f473-60
0.491
MAR-TRE-d0525fbf-27
0.490
MAR-TRE-74c6519b-15
0.490
MAR-TRE-74c6519b-33
0.490
MAR-TRE-d0525fbf-47
0.490
MAR-TRE-f6f5f473-5
0.486
MAR-TRE-b77b7921-57
0.486
MAR-TRE-b77b7921-76
0.484
MAR-TRE-d0525fbf-42
0.481
MAR-TRE-d0525fbf-31
0.481
MAR-TRE-4b834d9a-41
0.481
MAR-TRE-7f7bb9f0-24
0.481
MAR-TRE-4b834d9a-52
0.480
MAR-TRE-74c6519b-83
0.480
MAR-TRE-4b834d9a-19
0.479
MAR-TRE-9c797165-19
0.473
MAR-TRE-74c6519b-38
0.465
MAR-TRE-f6f5f473-18
0.463
MAR-TRE-b77b7921-86
0.459
MAR-TRE-d0525fbf-17
0.457
MAR-TRE-b77b7921-36
0.455
MAR-TRE-3e4e6814-77
0.455
MAR-TRE-74c6519b-21
0.454
MAR-TRE-3e4e6814-11
0.453
MAR-TRE-f6f5f473-7
0.451
MAR-TRE-b77b7921-42
0.450
MAR-TRE-d0525fbf-29
0.449
MAR-TRE-3e4e6814-98
0.449
MAR-TRE-f6f5f473-10
0.447
MAR-TRE-74c6519b-80
0.446
MAR-TRE-b77b7921-90
0.443
MAR-TRE-f6f5f473-21
0.443
MAR-TRE-f6f5f473-57
0.441
MAR-TRE-d0525fbf-15
0.441
MAR-TRE-d0525fbf-40
0.440
MAR-TRE-d0525fbf-1
0.439
MAR-TRE-04c86cea-23
0.439
MAR-TRE-4b834d9a-50
0.438
MAR-TRE-b77b7921-46
0.434
MAR-TRE-d0525fbf-73
0.433
MAR-TRE-04c86cea-2
0.430
MAR-TRE-04c86cea-92
0.430
MAR-TRE-b77b7921-13
0.425