Molecular Properties | |
SMILES: | Cc1ccc(CCC(c2cccc(Cl)c2)N2CC3CC2CN3C(=O)CCl)cc1 |
MW: | 416.14 |
Fraction sp3: | 0.43 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 6 |
TPSA: | 23.55 |
cLogP: | 4.85 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MED-COV-4280ac29-15
MAK-UNK-ec98eaf6-49
0.789
MAK-UNK-ec98eaf6-53
0.735
AHN-SAT-721e3e40-1
0.697
MAK-UNK-ec98eaf6-51
0.578
MAK-UNK-ec98eaf6-52
0.574
PAU-WEI-b9b69149-3
0.571
MAK-UNK-10799360-36
0.557
MAK-UNK-ec98eaf6-1
0.547
DAR-DIA-3e9bbd81-3
0.512
MAK-UNK-ec98eaf6-6
0.512
MAK-UNK-3e0761f8-4
0.506
MAK-UNK-ec98eaf6-55
0.491
MAK-UNK-ec98eaf6-9
0.477
DAR-DIA-3e9bbd81-14
0.444
MAK-UNK-df1a028e-4
0.442
MAK-UNK-90d0606b-3
0.438
MAK-UNK-5d2caa6f-3
0.430
DAN-LON-a5fc619e-8
0.429
MAK-UNK-ec98eaf6-15
0.429
MAK-UNK-df1a028e-9
0.427
PAU-WEI-b9b69149-6
0.423
PAU-WEI-b9b69149-2
0.421
PAU-WEI-b9b69149-1
0.418
MAK-UNK-3e0761f8-9
0.398
MAK-UNK-ec98eaf6-13
0.398
MAK-UNK-ec98eaf6-56
0.393
MAK-UNK-3f402c2b-3
0.391
DAR-DIA-3e9bbd81-5
0.390
MAK-UNK-ec98eaf6-54
0.389
MAK-UNK-ec98eaf6-3
0.387
MAK-UNK-3f402c2b-4
0.386
MAK-UNK-ec98eaf6-44
0.385
MAK-UNK-5d2caa6f-4
0.380
MAK-UNK-ec98eaf6-4
0.378
DAR-DIA-3e9bbd81-7
0.378
MAK-UNK-5d2caa6f-5
0.372
MAK-UNK-3f402c2b-5
0.368
MAK-UNK-ec98eaf6-45
0.365
MAK-UNK-10799360-5
0.357
DAR-DIA-3e9bbd81-6
0.349
MAK-UNK-df1a028e-8
0.349
MAK-UNK-5d2caa6f-24
0.347
SAD-SAT-581007d4-10
0.337
DAR-DIA-3e9bbd81-13
0.336
MAK-UNK-3f402c2b-12
0.333
MAK-UNK-df1a028e-6
0.333
MAK-UNK-ec98eaf6-8
0.333
MAK-UNK-10799360-26
0.330
MAK-UNK-10799360-3
0.330
MAK-UNK-3f402c2b-17
0.330
MAK-UNK-3f402c2b-27
0.330
MAK-UNK-ec98eaf6-14
0.323
MAK-UNK-3f402c2b-7
0.322
MAK-UNK-ec98eaf6-17
0.320
MAK-UNK-ec98eaf6-18
0.320
MAK-UNK-bae89c02-4
0.320
MED-COV-4280ac29-7
0.319
DAN-LON-a5fc619e-4
0.316
GIA-UNK-c4371e97-3
0.312
MAK-UNK-3f402c2b-29
0.312
NAM-UNK-f7c77a48-4
0.311
MAK-UNK-3f402c2b-22
0.311
MAK-UNK-3f402c2b-15
0.311
PAU-WEI-b9b69149-8
0.310
MED-COV-4280ac29-6
0.310
DAR-DIA-3e9bbd81-1
0.310
MAK-UNK-3f402c2b-16
0.308
MAK-UNK-10799360-17
0.308
MAK-UNK-90d0606b-1
0.307
PAU-WEI-b9b69149-5
0.306
MAK-UNK-3f402c2b-2
0.305
DAR-DIA-3e9bbd81-4
0.305
MAK-UNK-3f402c2b-9
0.304
MAK-UNK-3f402c2b-25
0.303
MED-COV-4280ac29-13
0.301
MAK-UNK-10799360-35
0.299
MAK-UNK-3f402c2b-14
0.299
PAU-WEI-b9b69149-4
0.298
SAD-SAT-581007d4-9
0.298
DAN-LON-a5fc619e-1
0.298
AAR-POS-0daf6b7e-10
0.298
PEI-IMP-e4a008a2-1
0.297
MAK-UNK-3f402c2b-13
0.296
SAD-SAT-c989feaa-3
0.296
MAK-UNK-10799360-16
0.295
MAK-UNK-ec98eaf6-38
0.295
MAK-UNK-10799360-12
0.295
MAK-UNK-10799360-19
0.294
MAK-UNK-3f402c2b-26
0.293
MAK-UNK-df1a028e-5
0.292
MAK-UNK-5d2caa6f-6
0.291
DAN-LON-a5fc619e-3
0.290
JOH-UNI-0e1753c1-5
0.290
SEA-TRI-2c7f3de8-1
0.290
MAK-UNK-ec98eaf6-32
0.289
MAK-UNK-ec98eaf6-24
0.288
MAK-UNK-bae89c02-3
0.288
MAK-UNK-10799360-22
0.288
MAK-UNK-ec98eaf6-19
0.288
MAK-UNK-10799360-29
0.288