Molecular Properties | |
SMILES: | COc1cccc(CNC(=O)Cn2c(=O)c3cc(C)nn3c3ncccc32)c1 |
MW: | 377.15 |
Fraction sp3: | 0.2 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 90.52 |
cLogP: | 1.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9636119443 |
MolPort: | MolPort-010-930-734 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-4b834d9a-22
0.759
MAR-TRE-b77b7921-10
0.742
MAR-TRE-3e4e6814-14
0.721
MAR-TRE-4b834d9a-18
0.678
MAR-TRE-4b834d9a-5
0.678
MAR-TRE-4b834d9a-3
0.670
MAR-TRE-d0525fbf-38
0.656
MAR-TRE-4b834d9a-47
0.624
MAR-TRE-74c6519b-60
0.606
MAR-TRE-04c86cea-33
0.586
MAR-TRE-4b834d9a-83
0.571
MAR-TRE-04c86cea-20
0.569
MAR-TRE-b77b7921-90
0.567
MAR-TRE-04c86cea-58
0.566
MAR-TRE-9c797165-92
0.558
MAR-TRE-b77b7921-8
0.554
MAR-TRE-74c6519b-3
0.553
MAR-TRE-d0525fbf-68
0.549
MAR-TRE-7f7bb9f0-93
0.542
MAR-TRE-67513f76-76
0.531
MAR-TRE-67513f76-52
0.520
MAR-TRE-04c86cea-6
0.515
MAR-TRE-b77b7921-11
0.500
MAR-TRE-b77b7921-5
0.486
MAR-TRE-b77b7921-7
0.486
MAR-TRE-3e4e6814-72
0.485
MAR-TRE-b77b7921-19
0.481
MAR-TRE-4b834d9a-2
0.480
MAR-TRE-74c6519b-25
0.480
MAR-TRE-4b834d9a-39
0.479
MAR-TRE-74c6519b-88
0.472
MAR-TRE-4b834d9a-94
0.466
MAR-TRE-4b834d9a-25
0.460
MAR-TRE-3e4e6814-2
0.458
MAR-TRE-3e4e6814-37
0.453
MAR-TRE-4b834d9a-12
0.448
MAR-TRE-74c6519b-8
0.448
MAR-TRE-d0525fbf-6
0.444
MAR-TRE-74c6519b-7
0.444
MAR-TRE-b77b7921-26
0.444
MAR-TRE-4b834d9a-21
0.443
MAR-TRE-d0525fbf-8
0.440
MAR-TRE-4b834d9a-10
0.435
MAR-TRE-d0525fbf-23
0.433
MAR-TRE-04c86cea-27
0.431
MAR-TRE-9c797165-25
0.429
MAR-TRE-4b834d9a-20
0.427
MAR-TRE-74c6519b-73
0.424
MAR-TRE-f6f5f473-72
0.422
MAR-TRE-3e4e6814-5
0.418
MAR-TRE-d0525fbf-39
0.417
MAR-TRE-b77b7921-54
0.414
MAR-TRE-f6f5f473-22
0.413
MAR-TRE-f6f5f473-66
0.412
MAR-TRE-d0525fbf-79
0.411
MAR-TRE-3e4e6814-21
0.411
MAR-TRE-b77b7921-2
0.411
MAR-TRE-f6f5f473-44
0.411
MAR-TRE-67513f76-2
0.410
MAR-TRE-04c86cea-56
0.407
MAR-TRE-74c6519b-61
0.407
MAR-TRE-4b834d9a-23
0.406
MAR-TRE-b77b7921-48
0.405
MAR-TRE-3e4e6814-12
0.404
MAR-TRE-04c86cea-72
0.404
MAR-TRE-d0525fbf-5
0.402
MAR-TRE-7f7bb9f0-17
0.400
MAR-TRE-7f7bb9f0-70
0.400
MAR-TRE-d0525fbf-28
0.400
MAR-TRE-74c6519b-70
0.400
MAR-TRE-b77b7921-84
0.400
MAR-TRE-74c6519b-27
0.400
MAR-TRE-4b834d9a-8
0.398
MAR-TRE-f6f5f473-45
0.396
MAR-TRE-f6f5f473-59
0.396
MAR-TRE-f6f5f473-96
0.396
MAR-TRE-74c6519b-6
0.396
MAR-TRE-74c6519b-5
0.394
MAR-TRE-67513f76-27
0.392
MAR-TRE-d0525fbf-94
0.391
MAR-TRE-f6f5f473-70
0.389
MAR-TRE-3e4e6814-7
0.389
MAR-TRE-7f7bb9f0-3
0.387
MAR-TRE-74c6519b-45
0.387
MAR-TRE-7f7bb9f0-85
0.386
MAR-TRE-04c86cea-73
0.385
MAR-TRE-7f7bb9f0-7
0.385
MAR-TRE-4b834d9a-69
0.385
MAR-TRE-04c86cea-60
0.385
MAR-TRE-04c86cea-80
0.383
MAR-TRE-d0525fbf-37
0.382
MAR-TRE-b77b7921-3
0.382
MAR-TRE-3159af1a-82
0.382
MAR-TRE-d0525fbf-9
0.382
MAR-TRE-d0525fbf-43
0.381
MAR-TRE-74c6519b-64
0.381
MAR-TRE-04c86cea-12
0.381
MAR-TRE-b77b7921-4
0.380
MAR-TRE-4b834d9a-14
0.380
MAR-TRE-f6f5f473-43
0.380