Molecular Properties | |
SMILES: | O=C(Cn1c(=O)c2cc(C3CC3)nn2c2ncccc21)N1CCc2ccccc21 |
MW: | 385.15 |
Fraction sp3: | 0.27 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 72.5 |
cLogP: | 2.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-4902872867 |
MolPort: | MolPort-010-930-707 |
Filter82_pyridinium
multiple aromatic rings
MAR-TRE-3e4e6814-37
0.733
MAR-TRE-f6f5f473-70
0.551
MAR-TRE-04c86cea-6
0.550
MAR-TRE-b77b7921-84
0.545
MAR-TRE-04c86cea-27
0.534
MAR-TRE-d0525fbf-94
0.520
MAR-TRE-b77b7921-19
0.514
MAR-TRE-f6f5f473-59
0.510
MAR-TRE-74c6519b-64
0.505
MAR-TRE-b77b7921-5
0.505
MAR-TRE-b77b7921-26
0.505
MAR-TRE-b77b7921-7
0.505
MAR-TRE-b77b7921-8
0.500
MAR-TRE-f6f5f473-44
0.495
MAR-TRE-74c6519b-88
0.491
MAR-TRE-b77b7921-10
0.477
MAR-TRE-b77b7921-38
0.405
MAR-TRE-74c6519b-3
0.396
MAR-TRE-74c6519b-61
0.376
MAR-TRE-3e4e6814-14
0.364
SAD-SAT-24589cd1-7
0.354
MAR-TRE-74c6519b-60
0.354
MAR-TRE-1c920f6f-82
0.352
MAR-TRE-7f7bb9f0-93
0.351
MAR-TRE-d0525fbf-38
0.345
MAR-TRE-9c797165-92
0.339
MAR-TRE-04c86cea-28
0.338
MAR-TRE-4b834d9a-22
0.336
MAR-TRE-4b834d9a-83
0.333
MAR-TRE-67513f76-76
0.333
MAR-TRE-4b834d9a-18
0.330
MAR-TRE-4b834d9a-5
0.330
MAR-TRE-4b834d9a-47
0.330
MAR-TRE-67513f76-52
0.328
MAR-TRE-b77b7921-90
0.328
MAR-TRE-0fda4e82-5
0.321
BRU-UNI-248b30bc-26
0.321
MAR-TRE-f6f5f473-89
0.319
MAR-TRE-d0525fbf-22
0.317
MAR-TRE-04c86cea-77
0.308
MAR-TRE-d0525fbf-100
0.305
MAR-TRE-b77b7921-69
0.302
MAR-TRE-74c6519b-75
0.301
MAR-TRE-4b834d9a-32
0.300
MAR-TRE-3e4e6814-35
0.298
MAR-TRE-f6f5f473-54
0.297
MAR-TRE-3e4e6814-10
0.295
MAR-TRE-74c6519b-36
0.294
MAT-POS-b5746674-113
0.293
MAR-TRE-3e4e6814-20
0.292
MAR-TRE-f6f5f473-82
0.291
MAR-TRE-9c797165-40
0.289
MAR-TRE-4b834d9a-30
0.287
MAR-TRE-f6f5f473-72
0.287
MAR-TRE-f6f5f473-88
0.286
MAR-TRE-7f7bb9f0-29
0.283
MAR-TRE-9c797165-36
0.283
MAR-TRE-4b834d9a-51
0.282
MAR-TRE-9c797165-61
0.281
MAR-TRE-3e4e6814-33
0.280
MAR-TRE-f6f5f473-43
0.280
MAR-TRE-4b834d9a-93
0.279
MAR-TRE-74c6519b-71
0.278
MAR-TRE-f6f5f473-96
0.276
MAR-TRE-f6f5f473-53
0.276
MAR-TRE-9c797165-18
0.276
MAR-TRE-f6f5f473-40
0.275
MAR-TRE-67513f76-94
0.274
MAR-TRE-04c86cea-9
0.274
MAR-TRE-04c86cea-25
0.274
MAR-TRE-74c6519b-16
0.274
MAR-TRE-b77b7921-93
0.274
MAR-TRE-4b834d9a-84
0.272
MAR-TRE-b77b7921-16
0.271
MAR-TRE-f6f5f473-50
0.270
MAR-TRE-3e4e6814-5
0.270
MAR-TRE-f6f5f473-66
0.270
MAR-TRE-3e4e6814-19
0.268
MAR-TRE-f6f5f473-26
0.268
MAR-TRE-7f7bb9f0-85
0.268
MAR-TRE-3e4e6814-3
0.268
MAR-TRE-74c6519b-25
0.267
MAR-TRE-f6f5f473-45
0.266
MAR-TRE-f6f5f473-62
0.266
MAR-TRE-04c86cea-20
0.266
MAR-TRE-74c6519b-73
0.265
MAR-TRE-04c86cea-11
0.264
MAR-TRE-04c86cea-12
0.264
MAR-TRE-3e4e6814-69
0.264
MAR-TRE-74c6519b-27
0.263
MAR-TRE-f6f5f473-16
0.262
MAR-TRE-b77b7921-22
0.262
MAR-TRE-04c86cea-89
0.262
MAR-TRE-7f7bb9f0-65
0.261
MAR-TRE-74c6519b-78
0.261
MAR-TRE-9c797165-89
0.261
MAR-TRE-3e4e6814-75
0.261
MAR-TRE-3e4e6814-60
0.260
MAR-TRE-04c86cea-55
0.260
MAR-TRE-04c86cea-72
0.260