Molecular Properties | |
SMILES: | CCNc1ccc(Nc2cc(C)cc(CN3CCN(C(=O)CCl)CC3)c2)c(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-1
0.667
MAK-UNK-af83ef51-22
0.641
MAK-UNK-849bee6c-22
0.628
MAK-UNK-849bee6c-21
0.617
MAK-UNK-849bee6c-23
0.608
MAK-UNK-10dfa458-43
0.596
MAK-UNK-849bee6c-18
0.591
MAK-UNK-849bee6c-2
0.585
MAK-UNK-849bee6c-19
0.585
MAK-UNK-849bee6c-24
0.573
MAK-UNK-10dfa458-19
0.567
MAK-UNK-849bee6c-26
0.554
MAK-UNK-849bee6c-25
0.545
MAK-UNK-10dfa458-13
0.500
MAK-UNK-10dfa458-44
0.500
DAV-CRI-d1e0885a-2
0.433
DAR-DIA-fb20be43-3
0.427
TAM-UNI-d1c3dd9f-16
0.426
MAK-UNK-af83ef51-17
0.415
SAD-SAT-581007d4-2
0.414
DAV-CRI-d1e0885a-4
0.406
MAK-UNK-849bee6c-3
0.406
SAD-SAT-581007d4-4
0.402
MAK-UNK-af83ef51-27
0.402
MAK-UNK-849bee6c-4
0.398
MED-COV-4280ac29-24
0.398
DAR-DIA-fb20be43-4
0.392
PAU-UNI-52c0427f-1
0.392
BRU-LEF-ae0885ba-1
0.392
TAM-UNI-d1c3dd9f-18
0.388
MAK-UNK-849bee6c-5
0.381
MAK-UNK-6ca90168-14
0.375
DRR-IMP-38dce17f-7
0.375
DAV-CRI-d1e0885a-3
0.370
SEL-UNI-cd366922-6
0.368
MAK-UNK-849bee6c-6
0.368
DAV-CRI-d1e0885a-6
0.367
AAR-POS-d2a4d1df-24
0.367
MAK-UNK-849bee6c-7
0.366
MAK-UNK-849bee6c-15
0.364
MAT-POS-ee51dedd-1
0.362
DAR-DIA-fb20be43-1
0.360
MAK-UNK-849bee6c-8
0.358
DAR-DIA-fb20be43-5
0.356
DRR-IMP-38dce17f-6
0.356
PAU-UNI-8cdd41c7-1
0.356
MAK-UNK-849bee6c-17
0.355
DAV-CRI-d1e0885a-5
0.354
MAK-UNK-849bee6c-14
0.352
MAK-UNK-7c9d1431-20
0.352
MAK-UNK-849bee6c-9
0.350
SAD-SAT-5b1897b2-2
0.348
DAV-CRI-d1e0885a-1
0.347
TAM-UNI-d1c3dd9f-17
0.347
MED-COV-4280ac29-35
0.347
MAK-UNK-af83ef51-21
0.345
SAD-SAT-581007d4-3
0.344
MED-COV-4280ac29-33
0.344
MAK-UNK-849bee6c-13
0.342
DRR-IMP-38dce17f-4
0.341
JOH-UNI-0e1753c1-3
0.341
MED-COV-4280ac29-15
0.341
AAR-POS-d2a4d1df-35
0.341
HYO-UNK-49a60884-1
0.341
FAB-UNK-7ad5ab26-2
0.339
MAK-UNK-af83ef51-29
0.339
SAD-SAT-581007d4-1
0.337
SAD-SAT-581007d4-7
0.337
MAT-POS-2db6411e-2
0.337
JOK-SYG-18591e8f-1
0.337
MAK-UNK-af83ef51-28
0.336
MAK-UNK-7c9d1431-24
0.333
DRR-IMP-38dce17f-3
0.333
MAK-UNK-212f693e-8
0.333
MAK-UNK-e4a48a85-27
0.333
MAK-UNK-849bee6c-12
0.333
MAK-UNK-849bee6c-16
0.333
LON-WEI-8f408cad-7
0.333
MAK-UNK-af83ef51-20
0.333
AAR-POS-0daf6b7e-13
0.333
MAK-UNK-e4a48a85-18
0.330
DRR-IMP-38dce17f-5
0.330
MAK-UNK-7c9d1431-29
0.330
DAR-DIA-fb20be43-6
0.327
MAK-UNK-af83ef51-1
0.327
MAK-UNK-7c9d1431-21
0.326
AAR-POS-0daf6b7e-12
0.326
JOH-UNI-27ac80fd-23
0.326
MAK-UNK-cd94b63c-1
0.324
MAK-UNK-176ca439-3
0.324
TAM-UNI-d1c3dd9f-6
0.324
MAK-UNK-af83ef51-31
0.321
NAU-LAT-64f4b287-3
0.320
NEH-REV-107bcf72-3
0.320
KIM-UNI-7d12df64-2
0.320
MAK-UNK-af83ef51-33
0.320
MAR-TRE-6a44bbf2-54
0.320
MAK-UNK-7c9d1431-14
0.320
MAK-UNK-7c9d1431-16
0.320
SAD-SAT-5b1897b2-5
0.320