Molecular Properties | |
SMILES: | CCNc1cccc(C#N)c1CN1CC2CC1CN2C(=O)CCl |
MW: | 332.14 |
Fraction sp3: | 0.53 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 59.37 |
cLogP: | 2.01 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-21
0.553
MED-COV-4280ac29-24
0.524
MAK-UNK-ec98eaf6-22
0.512
MAK-UNK-ec98eaf6-23
0.467
MAK-UNK-3f402c2b-3
0.457
MAK-UNK-ec98eaf6-16
0.444
DAN-LON-a5fc619e-8
0.444
MAK-UNK-10799360-22
0.440
DAR-DIA-3e9bbd81-2
0.435
MAK-UNK-3f402c2b-16
0.432
MAK-UNK-3f402c2b-26
0.432
MAK-UNK-3f402c2b-14
0.430
MAK-UNK-3f402c2b-21
0.427
DAR-DIA-3e9bbd81-8
0.423
MAK-UNK-3f402c2b-22
0.420
MAK-UNK-df1a028e-8
0.412
MAK-UNK-ec98eaf6-20
0.411
MAK-UNK-10799360-21
0.396
MAK-UNK-df1a028e-1
0.395
DAR-DIA-3e9bbd81-9
0.394
MAK-UNK-ec98eaf6-11
0.394
MAK-UNK-bae89c02-3
0.394
MAK-UNK-3f402c2b-13
0.393
MAK-UNK-df1a028e-6
0.393
MAK-UNK-ec98eaf6-2
0.389
MAK-UNK-bae89c02-4
0.389
MAK-UNK-10799360-20
0.388
MAK-UNK-ec98eaf6-17
0.387
MAK-UNK-10799360-17
0.385
SAD-SAT-581007d4-9
0.384
MAK-UNK-5d2caa6f-7
0.383
DAR-DIA-3e9bbd81-4
0.381
MAK-UNK-ec98eaf6-24
0.379
MAK-UNK-ec98eaf6-14
0.378
MAK-UNK-ec98eaf6-25
0.377
DAR-DIA-3e9bbd81-1
0.376
MAK-UNK-ec98eaf6-15
0.374
MAK-UNK-10799360-6
0.374
MAK-UNK-ec98eaf6-47
0.373
MAK-UNK-90d0606b-1
0.372
MAK-UNK-ec98eaf6-57
0.371
MAK-UNK-5d2caa6f-6
0.368
MAK-UNK-ec98eaf6-7
0.367
MAK-UNK-10799360-4
0.366
MAK-UNK-10799360-19
0.366
SAD-SAT-581007d4-10
0.363
MAK-UNK-10799360-29
0.359
MAK-UNK-10799360-32
0.358
MAK-UNK-10799360-16
0.357
DAR-DIA-3e9bbd81-10
0.354
MAK-UNK-ec98eaf6-19
0.351
MAK-UNK-3f402c2b-29
0.342
MAK-UNK-10799360-12
0.340
MAK-UNK-3e0761f8-10
0.339
MAK-UNK-10799360-10
0.336
MAK-UNK-ec98eaf6-28
0.336
MAK-UNK-10799360-8
0.336
MAK-UNK-3f402c2b-4
0.333
MAK-UNK-3f402c2b-7
0.333
MAK-UNK-5d2caa6f-23
0.333
MAK-UNK-df1a028e-4
0.330
MAK-UNK-10799360-26
0.327
MAK-UNK-3f402c2b-27
0.326
MAK-UNK-ec98eaf6-51
0.324
MAK-UNK-10799360-23
0.322
DAR-DIA-3e9bbd81-7
0.320
MAK-UNK-ec98eaf6-37
0.320
MAK-UNK-ec98eaf6-53
0.318
MAK-UNK-bae89c02-2
0.317
MAK-UNK-3f402c2b-2
0.315
MAK-UNK-ec98eaf6-4
0.315
MAK-UNK-3f402c2b-9
0.315
MAK-UNK-3f402c2b-25
0.314
MAK-UNK-10799360-5
0.313
MAK-UNK-ec98eaf6-3
0.312
MAK-UNK-3f402c2b-6
0.311
MAK-UNK-df1a028e-9
0.310
MAK-UNK-3e0761f8-4
0.310
MAK-UNK-3e0761f8-9
0.309
MAK-UNK-90d0606b-7
0.309
MAK-UNK-ec98eaf6-9
0.309
DAR-DIA-3e9bbd81-6
0.308
PEI-IMP-e4a008a2-1
0.307
MAK-UNK-10799360-36
0.304
MAK-UNK-ec98eaf6-13
0.304
MAK-UNK-5d2caa6f-3
0.304
MAK-UNK-3f402c2b-11
0.304
MAK-UNK-3f402c2b-5
0.303
MAK-UNK-90d0606b-3
0.302
MAK-UNK-3f402c2b-12
0.301
MAK-UNK-5d2caa6f-12
0.301
AHN-SAT-721e3e40-1
0.299
MAK-UNK-3f402c2b-17
0.298
DAR-DIA-3e9bbd81-13
0.297
MAK-UNK-3f402c2b-1
0.297
MAK-UNK-3f402c2b-24
0.297
MAK-UNK-90d0606b-8
0.296
MAK-UNK-90d0606b-4
0.295
MAK-UNK-ec98eaf6-52
0.295
MAK-UNK-3f402c2b-15
0.292