Molecular Properties | |
SMILES: | COCc1cc(Cl)cc(CN2CC3CC2CN3C(=O)CCl)c1 |
MW: | 342.09 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 32.78 |
cLogP: | 2.51 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-df1a028e-8
0.694
MAK-UNK-df1a028e-6
0.677
SAD-SAT-581007d4-10
0.611
DAN-LON-a5fc619e-8
0.557
MAK-UNK-3f402c2b-22
0.551
SAD-SAT-581007d4-9
0.542
MAK-UNK-3f402c2b-3
0.507
MAK-UNK-ec98eaf6-17
0.494
MED-COV-4280ac29-33
0.493
MAK-UNK-3f402c2b-16
0.479
MAK-UNK-3f402c2b-26
0.459
MAK-UNK-df1a028e-1
0.455
MAK-UNK-3f402c2b-21
0.453
MAK-UNK-5d2caa6f-6
0.452
DAR-DIA-3e9bbd81-1
0.446
MAK-UNK-10799360-17
0.437
DAR-DIA-3e9bbd81-4
0.432
DAR-DIA-3e9bbd81-10
0.432
MAK-UNK-ec98eaf6-24
0.430
MAK-UNK-ec98eaf6-23
0.425
MAK-UNK-10799360-16
0.420
MAK-UNK-3f402c2b-14
0.420
MAK-UNK-10799360-22
0.414
MAK-UNK-bae89c02-3
0.414
MAK-UNK-10799360-19
0.413
MAK-UNK-10799360-10
0.406
MAK-UNK-ec98eaf6-57
0.404
MAK-UNK-ec98eaf6-22
0.402
MAK-UNK-10799360-23
0.398
MAK-UNK-ec98eaf6-11
0.398
MAK-UNK-10799360-12
0.396
MAK-UNK-ec98eaf6-2
0.393
MAK-UNK-ec98eaf6-21
0.393
MAK-UNK-bae89c02-4
0.393
MAK-UNK-5d2caa6f-23
0.388
MAK-UNK-ec98eaf6-16
0.386
MAK-UNK-5d2caa6f-7
0.386
MAK-UNK-10799360-21
0.385
MAK-UNK-3f402c2b-29
0.385
DAR-DIA-3e9bbd81-2
0.378
MAK-UNK-ec98eaf6-10
0.378
MAK-UNK-10799360-6
0.376
MAK-UNK-10799360-20
0.376
MAK-UNK-10799360-8
0.376
PAT-MCD-fb0933e5-1
0.375
MAK-UNK-ec98eaf6-7
0.370
DAR-DIA-3e9bbd81-8
0.368
MAK-UNK-3f402c2b-7
0.368
DAR-DIA-3e9bbd81-9
0.368
MAK-UNK-10799360-29
0.361
MAK-UNK-ec98eaf6-47
0.361
MAK-UNK-90d0606b-1
0.360
MAK-UNK-10799360-32
0.359
MAK-UNK-3f402c2b-27
0.359
MAK-UNK-3f402c2b-15
0.354
MAK-UNK-10799360-4
0.354
MAK-UNK-ec98eaf6-25
0.353
MAK-UNK-3e0761f8-10
0.352
MAK-UNK-ec98eaf6-20
0.352
MAK-UNK-ec98eaf6-28
0.350
MAK-UNK-10799360-36
0.349
MAK-UNK-ec98eaf6-4
0.345
AHN-SAT-721e3e40-1
0.341
MAK-UNK-10799360-26
0.340
MAK-UNK-3f402c2b-4
0.333
MAK-UNK-ec98eaf6-38
0.333
MAK-UNK-3f402c2b-5
0.333
MAK-UNK-ec98eaf6-13
0.333
MAK-UNK-3f402c2b-2
0.329
MAK-UNK-10799360-5
0.326
MAK-UNK-ec98eaf6-1
0.326
MAK-UNK-ec98eaf6-3
0.326
MAK-UNK-ec98eaf6-50
0.323
MAK-UNK-ec98eaf6-19
0.323
MAK-UNK-ec98eaf6-6
0.322
DAR-DIA-3e9bbd81-3
0.322
PEI-IMP-e4a008a2-1
0.321
MAK-UNK-ec98eaf6-45
0.319
MAK-UNK-10799360-30
0.317
MAK-UNK-ec98eaf6-49
0.316
MAK-UNK-df1a028e-4
0.314
MAK-UNK-3f402c2b-12
0.314
MAK-UNK-3f402c2b-25
0.312
MAK-UNK-3f402c2b-17
0.310
MAK-UNK-3f402c2b-1
0.310
MAK-UNK-3f402c2b-6
0.310
MAK-UNK-3f402c2b-24
0.310
MAK-UNK-df1a028e-9
0.309
MAK-UNK-ec98eaf6-44
0.307
SAD-SAT-581007d4-7
0.304
MAT-POS-2db6411e-2
0.304
MAK-UNK-90d0606b-2
0.303
MAK-UNK-5d2caa6f-3
0.302
SAD-SAT-c989feaa-5
0.300
MAK-UNK-90d0606b-3
0.300
SAD-SAT-3a925b8b-8
0.298
MAK-UNK-3f402c2b-9
0.298
DAN-LON-a5fc619e-3
0.297
JOH-UNI-0e1753c1-5
0.297
MAK-UNK-3e0761f8-4
0.295