Molecular Properties | |
SMILES: | CCNc1cc(Nc2cc(C)cc(CN3CCN(C(=O)CCl)CC3)c2)cc(C#N)n1 |
MW: | 426.19 |
Fraction sp3: | 0.41 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 7 |
TPSA: | 84.29 |
cLogP: | 3.32 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-849bee6c-22
0.674
MAK-UNK-849bee6c-20
0.617
MAK-UNK-849bee6c-23
0.583
MAK-UNK-af83ef51-22
0.581
MAK-UNK-849bee6c-2
0.576
MAK-UNK-849bee6c-25
0.552
MAK-UNK-849bee6c-26
0.545
MAK-UNK-849bee6c-1
0.537
MAK-UNK-10dfa458-43
0.537
MAK-UNK-849bee6c-18
0.532
MAK-UNK-849bee6c-19
0.526
MAK-UNK-849bee6c-24
0.515
MAK-UNK-10dfa458-19
0.510
MAK-UNK-10dfa458-44
0.461
DAV-CRI-d1e0885a-2
0.452
MAK-UNK-10dfa458-13
0.447
TAM-UNI-d1c3dd9f-16
0.444
SAD-SAT-581007d4-2
0.434
DAR-DIA-fb20be43-4
0.424
BRU-LEF-ae0885ba-1
0.424
PAU-UNI-52c0427f-1
0.424
SAD-SAT-581007d4-4
0.420
MAK-UNK-af83ef51-17
0.417
DAV-CRI-d1e0885a-4
0.409
MAK-UNK-849bee6c-4
0.400
MAK-UNK-849bee6c-3
0.394
DAV-CRI-d1e0885a-3
0.385
DAR-DIA-fb20be43-3
0.385
MED-COV-4280ac29-24
0.385
MAK-UNK-af83ef51-27
0.377
DRR-IMP-38dce17f-7
0.376
MAK-UNK-6ca90168-14
0.376
DAR-DIA-fb20be43-1
0.375
PAU-UNI-8cdd41c7-1
0.373
DAR-DIA-fb20be43-5
0.371
MAK-UNK-849bee6c-5
0.369
MAK-UNK-849bee6c-6
0.369
AAR-POS-d2a4d1df-24
0.368
MAK-UNK-849bee6c-7
0.367
MAT-POS-ee51dedd-1
0.363
TAM-UNI-d1c3dd9f-17
0.361
SAD-SAT-581007d4-3
0.359
MED-COV-4280ac29-33
0.359
DRR-IMP-38dce17f-6
0.357
MAK-UNK-849bee6c-13
0.355
SEL-UNI-cd366922-6
0.355
DAV-CRI-d1e0885a-6
0.354
SAD-SAT-581007d4-1
0.352
MAT-POS-2db6411e-2
0.352
SAD-SAT-581007d4-7
0.352
MAK-UNK-849bee6c-15
0.352
MAK-UNK-af83ef51-28
0.348
MED-COV-4280ac29-35
0.347
TAM-UNI-d1c3dd9f-18
0.347
MAK-UNK-af83ef51-20
0.345
MAK-UNK-af83ef51-21
0.345
DRR-IMP-38dce17f-4
0.341
MAK-UNK-af83ef51-1
0.340
DAV-CRI-d1e0885a-5
0.340
MAK-UNK-849bee6c-14
0.340
FAB-UNK-7ad5ab26-2
0.339
MAK-UNK-cd94b63c-1
0.337
MAK-UNK-176ca439-3
0.337
MAK-UNK-849bee6c-9
0.337
SAD-SAT-5b1897b2-5
0.333
MAK-UNK-849bee6c-8
0.333
DAV-CRI-d1e0885a-1
0.333
DRR-IMP-38dce17f-3
0.333
MAK-UNK-7c9d1431-24
0.333
SAD-SAT-5b1897b2-2
0.333
MAK-UNK-af83ef51-33
0.331
MAK-UNK-849bee6c-17
0.330
MAK-UNK-7c9d1431-29
0.329
MAK-UNK-af83ef51-29
0.327
DAR-DIA-fb20be43-6
0.327
MAK-UNK-7c9d1431-21
0.326
MAR-LAB-ca4662a6-2
0.326
AAR-POS-0daf6b7e-12
0.326
JOH-UNI-27ac80fd-23
0.326
AAR-POS-d2a4d1df-35
0.326
HYO-UNK-49a60884-1
0.326
MED-COV-4280ac29-15
0.326
JOH-UNI-0e1753c1-3
0.326
TAM-UNI-d1c3dd9f-6
0.324
SEL-UNI-cd366922-7
0.323
JAN-GHE-fd8d85a5-1
0.323
JOK-SYG-18591e8f-1
0.323
MAK-UNK-7c9d1431-20
0.322
MAK-UNK-af83ef51-31
0.321
MAK-UNK-849bee6c-16
0.321
MAK-UNK-849bee6c-12
0.321
NEH-REV-107bcf72-3
0.320
MAK-UNK-7c9d1431-14
0.319
MAR-TRE-6a44bbf2-54
0.319
MAK-UNK-7c9d1431-16
0.319
DRR-IMP-38dce17f-2
0.319
AAR-POS-0daf6b7e-13
0.318
LON-WEI-8f408cad-7
0.318
MAK-UNK-212f693e-8
0.318
STE-KUL-2e0d2e88-7
0.316