Molecular Properties | |
SMILES: | N#Cc1cnc(CCO)cc1CN1CC2CC1CN2C(=O)CCl |
MW: | 334.12 |
Fraction sp3: | 0.56 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 80.46 |
cLogP: | 0.51 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-22
0.542
MED-COV-4280ac29-35
0.525
MAK-UNK-10799360-22
0.483
MAK-UNK-ec98eaf6-23
0.477
MAK-UNK-ec98eaf6-21
0.461
DAR-DIA-3e9bbd81-2
0.461
MAK-UNK-df1a028e-1
0.457
MAK-UNK-ec98eaf6-10
0.444
MAK-UNK-df1a028e-8
0.442
MAK-UNK-5d2caa6f-6
0.438
DAR-DIA-3e9bbd81-8
0.432
DAR-DIA-3e9bbd81-9
0.432
MAK-UNK-3f402c2b-22
0.430
MAK-UNK-bae89c02-4
0.430
MAK-UNK-ec98eaf6-17
0.427
MAK-UNK-3f402c2b-26
0.425
MAK-UNK-3f402c2b-14
0.424
MAK-UNK-df1a028e-6
0.420
MAK-UNK-3f402c2b-21
0.420
DAN-LON-a5fc619e-8
0.420
MAK-UNK-ec98eaf6-24
0.418
DAR-DIA-3e9bbd81-1
0.416
MAK-UNK-3f402c2b-3
0.415
SAD-SAT-581007d4-9
0.410
MAK-UNK-3f402c2b-16
0.407
MAK-UNK-5d2caa6f-7
0.407
DAR-DIA-3e9bbd81-4
0.404
MAK-UNK-bae89c02-3
0.402
MAK-UNK-ec98eaf6-25
0.398
MAK-UNK-ec98eaf6-2
0.398
MAK-UNK-10799360-6
0.396
MAK-UNK-ec98eaf6-7
0.389
DAR-DIA-3e9bbd81-10
0.389
MAK-UNK-10799360-21
0.389
MAK-UNK-10799360-4
0.388
MAK-UNK-ec98eaf6-11
0.387
MAK-UNK-ec98eaf6-14
0.386
SAD-SAT-581007d4-10
0.386
MAK-UNK-10799360-20
0.381
MAK-UNK-ec98eaf6-28
0.369
MAK-UNK-ec98eaf6-47
0.366
MAK-UNK-10799360-16
0.365
MAK-UNK-ec98eaf6-57
0.365
MAK-UNK-10799360-12
0.359
MAK-UNK-ec98eaf6-20
0.359
MAK-UNK-10799360-10
0.356
MAK-UNK-3f402c2b-13
0.356
MAK-UNK-ec98eaf6-15
0.355
MAK-UNK-10799360-29
0.353
MAK-UNK-5d2caa6f-23
0.352
MAK-UNK-3f402c2b-29
0.352
MAK-UNK-10799360-32
0.352
MAK-UNK-10799360-17
0.351
MAK-UNK-10799360-19
0.347
MAK-UNK-3e0761f8-10
0.345
MAK-UNK-10799360-8
0.343
MAK-UNK-10799360-23
0.339
MAK-UNK-3f402c2b-25
0.337
DAV-CRI-d1e0885a-3
0.337
MAK-UNK-3f402c2b-4
0.325
MAK-UNK-90d0606b-1
0.323
DAV-CRI-d1e0885a-2
0.316
MAK-UNK-90d0606b-7
0.316
DAR-DIA-3e9bbd81-6
0.314
DAR-DIA-3e9bbd81-7
0.313
MAK-UNK-ec98eaf6-37
0.313
MAK-UNK-10799360-36
0.311
MAK-UNK-5d2caa6f-3
0.311
MAK-UNK-3f402c2b-7
0.310
MAK-UNK-3f402c2b-2
0.308
MAK-UNK-3f402c2b-12
0.308
MAK-UNK-ec98eaf6-51
0.305
MAK-UNK-3f402c2b-17
0.304
MAK-UNK-3f402c2b-24
0.303
MAK-UNK-3f402c2b-1
0.303
MAK-UNK-ec98eaf6-19
0.303
MAK-UNK-df1a028e-9
0.302
MAK-UNK-ec98eaf6-53
0.299
PEI-IMP-e4a008a2-1
0.299
MAK-UNK-3f402c2b-15
0.299
MAK-UNK-3f402c2b-5
0.295
MAK-UNK-ec98eaf6-4
0.293
MAK-UNK-df1a028e-4
0.293
MAK-UNK-3f402c2b-9
0.292
SAD-SAT-3a925b8b-8
0.292
AHN-SAT-721e3e40-1
0.292
MAK-UNK-10799360-1
0.292
MAK-UNK-ec98eaf6-3
0.292
MAK-UNK-3f402c2b-6
0.289
MAK-UNK-ec98eaf6-6
0.289
DAR-DIA-3e9bbd81-3
0.289
MAK-UNK-90d0606b-4
0.288
MAK-UNK-ec98eaf6-52
0.288
MAK-UNK-3f402c2b-27
0.287
MAK-UNK-10799360-30
0.287
MAK-UNK-ec98eaf6-49
0.284
MAK-UNK-5d2caa6f-4
0.284
MAK-UNK-3f402c2b-11
0.283
MAK-UNK-ec98eaf6-13
0.283
MAK-UNK-ec98eaf6-1
0.280