Molecular Properties | |
SMILES: | CC(=O)Nc1cc(C#N)cc(CN2CCN(C(=O)CCl)CC2)c1 |
MW: | 334.807 |
Fraction sp3: | 0.44 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 76.44 |
cLogP: | 1.39968 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
MAK-UNK-10dfa458-44
0.560
DRR-IMP-38dce17f-7
0.547
MAK-UNK-6ca90168-14
0.547
MAT-POS-ee51dedd-1
0.514
TAM-UNI-d1c3dd9f-18
0.500
SAD-SAT-581007d4-2
0.485
PAU-UNI-8cdd41c7-1
0.477
DAV-CRI-d1e0885a-6
0.474
MAK-UNK-849bee6c-24
0.466
MED-COV-4280ac29-33
0.466
SAD-SAT-581007d4-4
0.466
MAK-UNK-849bee6c-18
0.465
MAK-UNK-849bee6c-19
0.460
MAK-UNK-849bee6c-2
0.460
MAK-UNK-849bee6c-25
0.456
MAK-UNK-849bee6c-1
0.455
MAK-UNK-10dfa458-43
0.455
MAK-UNK-af83ef51-22
0.449
PAU-UNI-52c0427f-1
0.449
DAR-DIA-fb20be43-4
0.449
BRU-LEF-ae0885ba-1
0.449
MAK-UNK-849bee6c-21
0.444
TAM-UNI-d1c3dd9f-17
0.443
SAD-SAT-581007d4-7
0.443
SAD-SAT-581007d4-1
0.443
MAT-POS-2db6411e-2
0.443
MAK-UNK-849bee6c-22
0.440
MAK-UNK-7c9d1431-29
0.439
DAR-DIA-fb20be43-3
0.438
MAK-UNK-849bee6c-26
0.436
DRR-IMP-38dce17f-6
0.433
SAD-SAT-581007d4-3
0.427
MAK-UNK-849bee6c-20
0.426
MAK-UNK-849bee6c-23
0.426
DRR-IMP-38dce17f-3
0.424
MAK-UNK-7c9d1431-24
0.424
AAR-POS-d2a4d1df-24
0.423
MAK-UNK-849bee6c-4
0.419
DAR-DIA-fb20be43-6
0.415
MAK-UNK-849bee6c-7
0.415
MAK-UNK-849bee6c-5
0.414
DAV-CRI-d1e0885a-1
0.413
MAK-UNK-849bee6c-3
0.411
DRR-IMP-38dce17f-4
0.408
MED-COV-4280ac29-15
0.408
AAR-POS-d2a4d1df-35
0.408
HYO-UNK-49a60884-1
0.408
JOH-UNI-0e1753c1-3
0.408
MAK-UNK-af83ef51-17
0.407
FAB-UNK-7ad5ab26-2
0.407
JIA-UNI-93b03cae-1
0.403
LON-WEI-8f408cad-7
0.400
JOK-SYG-18591e8f-1
0.400
MAK-UNK-212f693e-8
0.400
AAR-POS-0daf6b7e-13
0.400
MAK-UNK-10dfa458-19
0.398
MAK-UNK-849bee6c-6
0.398
DRR-IMP-38dce17f-2
0.397
MAK-UNK-849bee6c-14
0.395
DAV-CRI-d1e0885a-4
0.395
MAK-UNK-7c9d1431-14
0.395
SAD-SAT-5b1897b2-5
0.395
DAV-CRI-d1e0885a-2
0.393
MAK-UNK-849bee6c-9
0.393
MAK-UNK-7c9d1431-21
0.387
MAK-UNK-849bee6c-12
0.386
DAV-CRI-d1e0885a-3
0.386
MED-COV-4280ac29-24
0.386
TAM-UNI-d1c3dd9f-1
0.385
MAK-UNK-849bee6c-8
0.385
DAR-DIA-fb20be43-16
0.385
DAV-CRI-d1e0885a-5
0.383
MAK-UNK-176ca439-2
0.382
PAT-UNK-b2d83456-1
0.378
NEH-REV-107bcf72-5
0.378
MAK-UNK-7c9d1431-16
0.377
MAR-TRE-6a44bbf2-54
0.377
SAD-SAT-65574d3f-10
0.377
TAM-UNI-d1c3dd9f-5
0.376
TAM-UNI-d1c3dd9f-6
0.376
MAK-UNK-849bee6c-15
0.376
DRR-IMP-38dce17f-5
0.375
NEH-REV-107bcf72-3
0.375
MAK-UNK-987948f6-3
0.375
SAD-SAT-bc31ec01-1
0.375
DAR-DIA-fb20be43-1
0.373
MED-COV-4280ac29-35
0.373
DRR-IMP-dff87f5e-9
0.373
MAK-UNK-849bee6c-16
0.371
MAR-LAB-ca4662a6-2
0.370
DAR-DIA-fb20be43-5
0.369
MAK-UNK-af83ef51-1
0.367
DAR-DIA-fb20be43-17
0.366
MAK-UNK-849bee6c-13
0.366
MAK-UNK-849bee6c-17
0.366
MAK-UNK-7c9d1431-20
0.365
SWA-SYN-d2e6fa14-7
0.364
SWA-SYN-6423ea73-7
0.364
TAM-UNI-d1c3dd9f-19
0.363
SEL-UNI-cd366922-7
0.361