Molecular Properties | |
SMILES: | O=C(Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21)NCCc1ccccc1 |
MW: | 387.17 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 81.29 |
cLogP: | 2.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-9443957406 |
MolPort: | MolPort-010-930-754 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-04c86cea-6
0.759
MAR-TRE-74c6519b-60
0.716
MAR-TRE-b77b7921-8
0.670
MAR-TRE-b77b7921-5
0.642
MAR-TRE-b77b7921-7
0.642
MAR-TRE-b77b7921-26
0.625
MAR-TRE-b77b7921-10
0.620
MAR-TRE-b77b7921-19
0.616
MAR-TRE-f6f5f473-70
0.613
MAR-TRE-b77b7921-84
0.604
MAR-TRE-f6f5f473-44
0.596
MAR-TRE-d0525fbf-94
0.594
MAR-TRE-74c6519b-64
0.592
MAR-TRE-f6f5f473-59
0.582
MAR-TRE-74c6519b-88
0.559
MAR-TRE-04c86cea-16
0.534
MAR-TRE-3e4e6814-14
0.526
MAR-TRE-4b834d9a-22
0.471
MAR-TRE-74c6519b-3
0.446
MAR-TRE-3e4e6814-72
0.442
MAR-TRE-4b834d9a-5
0.438
MAR-TRE-4b834d9a-18
0.438
MAR-TRE-d0525fbf-22
0.431
MAR-TRE-f6f5f473-7
0.427
MAR-TRE-b77b7921-25
0.426
MAR-TRE-d0525fbf-38
0.426
MAR-TRE-4b834d9a-47
0.425
MAR-TRE-04c86cea-55
0.417
MAR-TRE-7f7bb9f0-93
0.410
MAR-TRE-b77b7921-90
0.407
MAR-TRE-74c6519b-61
0.407
MAR-TRE-9c797165-92
0.396
MAR-TRE-67513f76-18
0.396
MAR-TRE-3e4e6814-5
0.390
MAR-TRE-67513f76-76
0.389
MAR-TRE-67513f76-52
0.382
MAR-TRE-3e4e6814-12
0.377
MAR-TRE-4b834d9a-83
0.375
MAR-TRE-74c6519b-27
0.374
MAR-TRE-3e4e6814-90
0.374
MAR-TRE-f6f5f473-82
0.367
MAR-TRE-b77b7921-61
0.365
MAR-TRE-3e4e6814-7
0.364
MAR-TRE-4b834d9a-93
0.363
MAR-TRE-3e4e6814-37
0.363
MAR-TRE-4b834d9a-84
0.362
MAR-TRE-f6f5f473-89
0.361
MAR-TRE-4b834d9a-12
0.357
MAR-TRE-7f7bb9f0-39
0.356
MAR-TRE-f6f5f473-94
0.356
MAR-TRE-9c797165-74
0.355
MAR-TRE-3e4e6814-18
0.349
MAR-TRE-f6f5f473-55
0.349
MAR-TRE-b77b7921-2
0.348
MAR-TRE-b77b7921-11
0.346
MAR-TRE-b77b7921-16
0.345
MAR-TRE-74c6519b-73
0.343
MAR-TRE-74c6519b-25
0.343
MAR-TRE-4b834d9a-2
0.343
MAR-TRE-4b834d9a-21
0.342
MAR-TRE-4b834d9a-25
0.339
MAR-TRE-f6f5f473-53
0.339
ALE-UNK-fca05062-4
0.337
MAR-TRE-4b834d9a-3
0.336
MAR-TRE-f6f5f473-34
0.336
MAR-TRE-04c86cea-60
0.336
MAR-TRE-4b834d9a-10
0.336
MAR-TRE-f6f5f473-96
0.336
MAR-TRE-74c6519b-6
0.333
MAR-TRE-7f7bb9f0-17
0.333
MAR-TRE-7f7bb9f0-85
0.333
MAR-TRE-74c6519b-8
0.333
MAR-TRE-f6f5f473-66
0.333
MAR-TRE-04c86cea-72
0.330
MAR-TRE-f6f5f473-43
0.330
MAR-TRE-74c6519b-75
0.330
MAR-TRE-9c797165-45
0.330
MAR-TRE-67513f76-94
0.327
MAR-TRE-f6f5f473-72
0.325
MAR-TRE-04c86cea-58
0.325
MAR-TRE-f6f5f473-45
0.325
MAR-TRE-7f7bb9f0-7
0.325
MAR-TRE-f6f5f473-88
0.325
MAR-TRE-3e4e6814-73
0.324
MAR-TRE-74c6519b-78
0.324
MAR-TRE-74c6519b-7
0.322
MAR-TRE-74c6519b-5
0.322
MAR-TRE-b77b7921-3
0.322
MAR-TRE-b77b7921-22
0.322
MAR-TRE-04c86cea-1
0.322
MAR-TRE-b77b7921-54
0.321
MAR-TRE-4b834d9a-20
0.319
MAR-TRE-3e4e6814-25
0.319
MAR-TRE-d0525fbf-39
0.319
MAR-TRE-b77b7921-23
0.319
MAR-TRE-67513f76-91
0.319
MAR-TRE-4b834d9a-14
0.319
MAR-TRE-4b834d9a-23
0.319
MAR-TRE-3e4e6814-33
0.319
MAR-TRE-74c6519b-10
0.319