Molecular Properties | |
SMILES: | COc1ccc(Cn2c(=O)c3ncccc3n(Cc3cc(OC)cc(OC)c3)c2=O)cc1 |
MW: | 433.16 |
Fraction sp3: | 0.21 |
HBA: | 8 |
HBD: | 0 |
Rotatable Bonds: | 7 |
TPSA: | 84.58 |
cLogP: | 2.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1343658661 |
MolPort: | MolPort-003-108-046 |
Filter82_pyridinium
MAR-TRE-3e4e6814-42
0.829
MAR-TRE-d0525fbf-46
0.829
MAR-TRE-d0525fbf-67
0.817
MAR-TRE-4b834d9a-34
0.800
MAR-TRE-7f7bb9f0-10
0.789
MAR-TRE-d0525fbf-16
0.720
MAR-TRE-d0525fbf-18
0.697
MAR-TRE-3e4e6814-44
0.625
MAR-TRE-d0525fbf-20
0.571
MAR-TRE-b77b7921-82
0.568
MAR-TRE-b77b7921-42
0.560
MAR-TRE-d0525fbf-86
0.556
MAR-TRE-b77b7921-57
0.556
MAR-TRE-04c86cea-67
0.556
MAR-TRE-d0525fbf-25
0.556
MAR-TRE-d0525fbf-31
0.549
MAR-TRE-74c6519b-62
0.548
MAR-TRE-d0525fbf-15
0.548
MAR-TRE-3e4e6814-99
0.526
MAR-TRE-b77b7921-49
0.506
MAR-TRE-f6f5f473-86
0.506
MAR-TRE-f6f5f473-48
0.505
MAR-TRE-74c6519b-83
0.500
MAR-TRE-4b834d9a-80
0.494
MAR-TRE-04c86cea-50
0.494
MAR-TRE-b77b7921-76
0.488
MAR-TRE-3e4e6814-30
0.484
MAR-TRE-4b834d9a-19
0.482
MAR-TRE-74c6519b-94
0.477
MAR-TRE-b77b7921-14
0.467
MAR-TRE-b77b7921-33
0.466
MAR-TRE-74c6519b-87
0.465
MAR-TRE-04c86cea-61
0.462
MAR-TRE-f6f5f473-49
0.449
MAR-TRE-f6f5f473-11
0.446
MAR-TRE-b77b7921-60
0.444
MAR-TRE-b77b7921-62
0.444
MAR-TRE-b77b7921-50
0.441
MAR-TRE-9c797165-19
0.440
MAR-TRE-b77b7921-36
0.440
MAR-TRE-04c86cea-26
0.433
MAR-TRE-04c86cea-37
0.433
MAR-TRE-b77b7921-79
0.433
MAR-TRE-b77b7921-32
0.429
MAR-TRE-b77b7921-51
0.429
MAR-TRE-b77b7921-24
0.424
MAR-TRE-f6f5f473-13
0.420
MAR-TRE-74c6519b-40
0.418
MAR-TRE-b77b7921-12
0.418
MAR-TRE-b77b7921-64
0.418
MAR-TRE-04c86cea-98
0.418
MAR-TRE-04c86cea-15
0.414
MAR-TRE-b77b7921-41
0.413
MAR-TRE-f6f5f473-21
0.412
MAR-TRE-d0525fbf-17
0.412
MAR-TRE-74c6519b-21
0.410
MAR-TRE-b77b7921-21
0.410
MAR-TRE-3e4e6814-77
0.409
MAR-TRE-3e4e6814-11
0.408
MAR-TRE-3e4e6814-29
0.408
MAR-TRE-74c6519b-74
0.406
MAR-TRE-d0525fbf-60
0.404
MAR-TRE-74c6519b-28
0.402
MAR-TRE-b77b7921-31
0.400
MAR-TRE-b77b7921-37
0.400
MAR-TRE-04c86cea-2
0.398
MAR-TRE-3e4e6814-32
0.398
MAR-TRE-d0525fbf-73
0.398
MAR-TRE-74c6519b-22
0.394
MAR-TRE-74c6519b-31
0.394
MAR-TRE-04c86cea-18
0.394
MAR-TRE-d0525fbf-1
0.394
MAR-TRE-4b834d9a-52
0.392
MAR-TRE-3e4e6814-48
0.392
MAR-TRE-4b834d9a-50
0.392
MAR-TRE-f6f5f473-32
0.390
MAR-TRE-74c6519b-33
0.390
MAR-TRE-3e4e6814-98
0.390
MAR-TRE-4b834d9a-81
0.389
MAR-TRE-f6f5f473-7
0.389
MAR-TRE-d0525fbf-47
0.388
MAR-TRE-74c6519b-37
0.386
MAR-TRE-d0525fbf-56
0.386
MAR-TRE-f6f5f473-19
0.385
MAR-TRE-d0525fbf-58
0.384
MAR-TRE-04c86cea-30
0.384
MAR-TRE-d0525fbf-42
0.382
MAR-TRE-7f7bb9f0-52
0.381
MAR-TRE-d0525fbf-19
0.381
MAR-TRE-b77b7921-86
0.380
MAR-TRE-7f7bb9f0-24
0.380
MAR-TRE-74c6519b-32
0.380
MAR-TRE-4b834d9a-41
0.380
MAR-TRE-d0525fbf-48
0.380
MAR-TRE-4b834d9a-72
0.378
MAR-TRE-7f7bb9f0-77
0.378
MAR-TRE-d0525fbf-27
0.376
MAR-TRE-74c6519b-15
0.376
MAR-TRE-4b834d9a-98
0.375
MAR-TRE-74c6519b-38
0.375