Molecular Properties | |
SMILES: | COc1ccccc1CNC(=O)Cn1c(=O)c2cc(C)nn2c2ncccc21 |
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-2915430268 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-b77b7921-19
0.736
MAR-TRE-3e4e6814-14
0.678
MAR-TRE-d0525fbf-22
0.656
MAR-TRE-4b834d9a-18
0.656
MAR-TRE-4b834d9a-47
0.656
MAR-TRE-4b834d9a-5
0.637
MAR-TRE-4b834d9a-8
0.632
MAR-TRE-d0525fbf-43
0.625
MAR-TRE-4b834d9a-22
0.624
MAR-TRE-4b834d9a-83
0.617
MAR-TRE-74c6519b-60
0.602
MAR-TRE-04c86cea-12
0.588
MAR-TRE-7f7bb9f0-93
0.570
MAR-TRE-74c6519b-3
0.565
MAR-TRE-04c86cea-70
0.557
MAR-TRE-9c797165-92
0.553
MAR-TRE-67513f76-76
0.542
MAR-TRE-04c86cea-25
0.540
MAR-TRE-b77b7921-90
0.531
MAR-TRE-67513f76-52
0.531
MAR-TRE-3e4e6814-37
0.490
MAR-TRE-b77b7921-10
0.481
MAR-TRE-04c86cea-6
0.480
MAR-TRE-d0525fbf-28
0.480
MAR-TRE-d0525fbf-23
0.470
MAR-TRE-b77b7921-7
0.467
MAR-TRE-b77b7921-26
0.467
MAR-TRE-9c797165-25
0.465
MAR-TRE-74c6519b-78
0.454
MAR-TRE-b77b7921-5
0.453
MAR-TRE-4b834d9a-70
0.451
MAR-TRE-b77b7921-8
0.449
MAR-TRE-4b834d9a-55
0.443
MAR-TRE-4b834d9a-95
0.443
MAR-TRE-b77b7921-29
0.442
MAR-TRE-4b834d9a-99
0.439
MAR-TRE-4b834d9a-33
0.434
MAR-TRE-74c6519b-88
0.427
MAR-TRE-74c6519b-10
0.427
MAR-TRE-04c86cea-27
0.426
MAR-TRE-04c86cea-74
0.417
MAR-TRE-4b834d9a-15
0.415
MAR-TRE-74c6519b-77
0.413
MAR-TRE-74c6519b-9
0.411
MAR-TRE-4b834d9a-3
0.408
MAR-TRE-b77b7921-84
0.407
MAR-TRE-7f7bb9f0-9
0.404
MAR-TRE-d0525fbf-71
0.402
MAR-TRE-4b834d9a-39
0.400
MAR-TRE-7f7bb9f0-5
0.400
MAR-TRE-7f7bb9f0-73
0.398
MAR-TRE-f6f5f473-68
0.396
MAR-TRE-f6f5f473-70
0.396
MAR-TRE-d0525fbf-12
0.394
MAR-TRE-7f7bb9f0-17
0.394
MAR-TRE-7f7bb9f0-85
0.394
MAR-TRE-d0525fbf-11
0.391
MAR-TRE-f6f5f473-59
0.391
MAR-TRE-d0525fbf-3
0.391
MAR-TRE-4b834d9a-9
0.391
MAR-TRE-d0525fbf-4
0.391
MAR-TRE-67513f76-2
0.390
MAR-TRE-74c6519b-73
0.390
MAR-TRE-74c6519b-86
0.389
MAR-TRE-f6f5f473-12
0.389
MAR-TRE-d0525fbf-7
0.387
MAR-TRE-67513f76-27
0.386
MAR-TRE-b77b7921-23
0.385
MAR-TRE-d0525fbf-94
0.385
MAR-TRE-3e4e6814-5
0.384
MAR-TRE-f6f5f473-44
0.381
MAR-TRE-b77b7921-11
0.379
MAR-TRE-f6f5f473-66
0.379
MAR-TRE-74c6519b-61
0.377
MAR-TRE-7f7bb9f0-1
0.377
MAR-TRE-4b834d9a-7
0.376
MAR-TRE-3e4e6814-4
0.375
MAR-TRE-74c6519b-25
0.375
MAR-TRE-74c6519b-64
0.375
MAR-TRE-b77b7921-48
0.375
MAR-TRE-d0525fbf-39
0.373
MAR-TRE-f6f5f473-50
0.373
MAR-TRE-4b834d9a-40
0.373
MAR-TRE-3e4e6814-12
0.371
MAR-TRE-4b834d9a-54
0.370
MAR-TRE-4b834d9a-93
0.369
MAR-TRE-3e4e6814-19
0.369
MAR-TRE-74c6519b-45
0.369
MAR-TRE-f6f5f473-26
0.369
MAR-TRE-d0525fbf-2
0.368
MAR-TRE-74c6519b-27
0.368
MAR-TRE-04c86cea-69
0.368
MAR-TRE-4b834d9a-76
0.367
MAR-TRE-b77b7921-2
0.367
MAR-TRE-04c86cea-73
0.367
MAR-TRE-b77b7921-54
0.366
MAR-TRE-b77b7921-20
0.366
MAR-TRE-d0525fbf-44
0.365
MAR-TRE-74c6519b-6
0.364
MAR-TRE-04c86cea-45
0.364