Molecular Properties | |
SMILES: | CC(C)C[C@@H]1CN(C(=O)CCl)CCN1Cc1cccc(C#N)c1 |
MW: | 333.16 |
Fraction sp3: | 0.56 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 47.34 |
cLogP: | 2.86 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
DAN-LON-a5fc619e-3
0.703
JOH-UNI-0e1753c1-5
0.703
SAD-SAT-c989feaa-8
0.693
SAD-SAT-c989feaa-1
0.684
SAD-SAT-c989feaa-9
0.684
SAD-SAT-c989feaa-4
0.644
SAD-SAT-c989feaa-6
0.518
JOH-UNI-0e1753c1-4
0.512
MAT-POS-ee51dedd-1
0.506
HYO-UNK-1dbfcf16-1
0.483
STU-CHA-0be58c98-1
0.477
SAD-SAT-c989feaa-5
0.471
PAT-UNK-b2d83456-1
0.436
MAK-UNK-10dfa458-40
0.434
SAD-SAT-c989feaa-3
0.409
SAD-SAT-c989feaa-10
0.404
DAN-LON-a5fc619e-1
0.400
TAT-ENA-80bfd3e5-10
0.398
WAR-XCH-bdd24732-19
0.394
ANT-OPE-e67e7ba0-1
0.391
MAK-UNK-10dfa458-41
0.386
DAN-LON-a5fc619e-9
0.380
DAN-LON-a5fc619e-7
0.376
DAN-LON-a5fc619e-6
0.366
MAK-UNK-10dfa458-42
0.365
PAU-WEI-b9b69149-4
0.361
DAN-LON-a5fc619e-4
0.356
SAD-SAT-c989feaa-7
0.355
PAU-WEI-b9b69149-6
0.350
MAK-UNK-ec98eaf6-45
0.347
PAT-MCD-fb0933e5-1
0.341
SEA-TRI-f93fcab4-1
0.340
DAN-MCD-02570321-1
0.340
DAR-DIA-3e9bbd81-11
0.337
ERI-UCB-a0b0dbcb-14
0.337
TAM-UNI-d1c3dd9f-18
0.333
MAK-UNK-849bee6c-6
0.330
MAK-UNK-6ca90168-14
0.329
DRR-IMP-38dce17f-7
0.329
PAU-WEI-b9b69149-5
0.327
AAR-POS-d2a4d1df-35
0.325
JOH-UNI-0e1753c1-3
0.325
HYO-UNK-49a60884-1
0.325
MED-COV-4280ac29-15
0.325
AVI-UNI-70b60925-1
0.324
MAK-UNK-849bee6c-9
0.323
AAR-POS-d2a4d1df-24
0.321
MAK-UNK-849bee6c-8
0.320
MAK-UNK-849bee6c-17
0.317
NIR-THE-c331be7a-2
0.316
MAK-UNK-849bee6c-15
0.314
MAK-UNK-849bee6c-14
0.313
MAK-UNK-849bee6c-7
0.312
TAM-UNI-d1c3dd9f-16
0.312
MAK-UNK-ec98eaf6-51
0.311
SAD-SAT-24589cd1-9
0.311
MAK-UNK-3f402c2b-3
0.311
SEA-TRI-ec70a9dd-1
0.310
MAK-UNK-849bee6c-16
0.307
JOK-SYG-18591e8f-1
0.307
THO-SYG-f9b2970d-4
0.306
MAK-UNK-ec98eaf6-53
0.306
TAM-UNI-d1c3dd9f-17
0.305
MAK-UNK-849bee6c-13
0.305
MAK-UNK-849bee6c-3
0.305
MAK-UNK-849bee6c-5
0.304
MAK-UNK-10dfa458-39
0.303
DRR-IMP-38dce17f-2
0.302
DAR-DIA-fb20be43-3
0.302
DAN-LON-a5fc619e-8
0.300
DAR-DIA-fb20be43-6
0.299
MIC-UNK-df342a3f-1
0.298
MAK-UNK-987948f6-3
0.298
MED-COV-4280ac29-13
0.297
JOH-UNI-27ac80fd-28
0.297
PAT-UNK-b2d83456-2
0.295
MAK-UNK-af83ef51-2
0.295
MAK-UNK-849bee6c-4
0.294
DAR-DIA-3e9bbd81-7
0.294
MAK-UNK-849bee6c-12
0.294
MAK-UNK-ec98eaf6-40
0.294
BEN-DND-76ad4ac9-3
0.293
MAK-UNK-6ca90168-7
0.293
DAN-LON-a5fc619e-2
0.293
THO-SYG-f9b2970d-2
0.293
MAK-UNK-748f8b7a-6
0.292
DAR-DIA-3e9bbd81-16
0.292
SWA-SYN-d2e6fa14-7
0.292
SWA-SYN-6423ea73-7
0.292
NIM-UNI-310206f0-35
0.292
LOR-NOR-30067bb9-11
0.290
MIC-UNK-e8a42ca9-2
0.290
JOH-UNI-0e1753c1-1
0.289
SAD-SAT-24589cd1-5
0.287
FAB-UNK-03d90bbc-1
0.287
FAB-UNK-7ad5ab26-1
0.287
FAB-NA_-a03f4448-1
0.287
MAK-UNK-af83ef51-21
0.286
MAK-UNK-748f8b7a-9
0.284
MED-COV-4280ac29-34
0.284