Molecular Properties | |
SMILES: | CNc1ccc(Nc2cc(C)cc(CN3CCN(C(=O)CCl)CC3)c2)c(C#N)c1 |
MW: | 411.18 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 71.4 |
cLogP: | 3.54 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-10dfa458-43
0.797
MAK-UNK-849bee6c-24
0.787
MAK-UNK-af83ef51-22
0.787
MAK-UNK-849bee6c-19
0.741
MAK-UNK-849bee6c-1
0.614
MAK-UNK-10dfa458-44
0.611
MAK-UNK-10dfa458-13
0.611
MAK-UNK-849bee6c-20
0.591
MAK-UNK-849bee6c-2
0.567
MAK-UNK-10dfa458-19
0.565
MAK-UNK-849bee6c-25
0.543
MAK-UNK-849bee6c-23
0.542
MAK-UNK-849bee6c-26
0.536
MAK-UNK-849bee6c-21
0.532
MAK-UNK-849bee6c-22
0.526
TAM-UNI-d1c3dd9f-16
0.465
SAD-SAT-581007d4-2
0.456
MAK-UNK-af83ef51-17
0.434
DRR-IMP-38dce17f-7
0.430
MAK-UNK-6ca90168-14
0.430
SAD-SAT-581007d4-4
0.424
TAM-UNI-d1c3dd9f-18
0.407
AAR-POS-d2a4d1df-24
0.402
MAK-UNK-849bee6c-4
0.402
MAT-POS-ee51dedd-1
0.395
DAV-CRI-d1e0885a-1
0.395
PAU-UNI-8cdd41c7-1
0.392
DAR-DIA-fb20be43-3
0.387
MED-COV-4280ac29-24
0.387
DAV-CRI-d1e0885a-6
0.385
MAK-UNK-849bee6c-3
0.382
DAV-CRI-d1e0885a-4
0.380
DAV-CRI-d1e0885a-2
0.379
TAM-UNI-d1c3dd9f-17
0.376
MED-COV-4280ac29-33
0.375
DRR-IMP-38dce17f-6
0.375
DAV-CRI-d1e0885a-3
0.372
MAK-UNK-849bee6c-5
0.370
DAV-CRI-d1e0885a-5
0.370
MAT-POS-2db6411e-2
0.369
SAD-SAT-581007d4-7
0.369
SAD-SAT-581007d4-1
0.369
MAK-UNK-849bee6c-7
0.368
JOK-SYG-18591e8f-1
0.368
MAK-UNK-849bee6c-14
0.367
MAK-UNK-7c9d1431-24
0.367
DRR-IMP-38dce17f-3
0.367
MAK-UNK-212f693e-8
0.366
AAR-POS-0daf6b7e-13
0.366
LON-WEI-8f408cad-7
0.366
MAK-UNK-849bee6c-15
0.365
MAK-UNK-7c9d1431-29
0.362
MED-COV-4280ac29-35
0.362
SAD-SAT-581007d4-3
0.360
MAK-UNK-af83ef51-21
0.358
JOH-UNI-0e1753c1-3
0.357
AAR-POS-0daf6b7e-12
0.357
AAR-POS-d2a4d1df-35
0.357
MED-COV-4280ac29-15
0.357
HYO-UNK-49a60884-1
0.357
MAR-LAB-ca4662a6-2
0.357
JOH-UNI-27ac80fd-23
0.357
DRR-IMP-38dce17f-4
0.357
MAK-UNK-849bee6c-6
0.356
MAK-UNK-7c9d1431-21
0.356
MAK-UNK-7c9d1431-20
0.353
PAU-UNI-52c0427f-1
0.351
BRU-LEF-ae0885ba-1
0.351
DAR-DIA-fb20be43-4
0.351
MAK-UNK-849bee6c-9
0.351
MAK-UNK-176ca439-3
0.351
MAK-UNK-cd94b63c-1
0.351
MAK-UNK-10dfa458-38
0.350
DRR-IMP-38dce17f-2
0.349
SAD-SAT-5b1897b2-5
0.348
MAK-UNK-7c9d1431-14
0.348
JOH-UNI-27ac80fd-38
0.348
NEH-REV-107bcf72-3
0.348
MAK-UNK-849bee6c-12
0.347
MAK-UNK-af83ef51-20
0.346
LON-WEI-8f408cad-5
0.345
AAR-POS-0daf6b7e-2
0.345
AAR-POS-0daf6b7e-17
0.345
MAR-TRE-6a44bbf2-12
0.345
MAK-UNK-e4a48a85-23
0.343
MAK-UNK-176ca439-2
0.343
MAK-UNK-e4a48a85-18
0.343
SEL-UNI-cd366922-6
0.341
MAK-UNK-af83ef51-1
0.341
FAB-UNK-7ad5ab26-2
0.340
MAK-UNK-af83ef51-27
0.340
JIA-UNI-93b03cae-1
0.337
STE-UNK-13e151dd-1
0.337
TAM-UNI-d1c3dd9f-6
0.337
NEH-REV-107bcf72-5
0.333
MAK-UNK-6ca90168-9
0.333
MAK-UNK-7c9d1431-16
0.333
MAK-UNK-849bee6c-8
0.333
MAK-UNK-849bee6c-16
0.333
SAD-SAT-5b1897b2-2
0.333