Molecular Properties | |
SMILES: | CC(=O)Nc1scc(C#N)c1CN1CCN(C(=O)CCl)CC1 |
MW: | 340.836 |
Fraction sp3: | 0.5 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 76.44 |
cLogP: | 1.46118 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
DAV-CRI-d1e0885a-4
0.738
DAV-CRI-d1e0885a-5
0.723
DAV-CRI-d1e0885a-1
0.493
ASH-SAT-43770c7d-5
0.478
MED-COV-4280ac29-24
0.474
TAM-UNI-d1c3dd9f-16
0.474
TAM-UNI-d1c3dd9f-18
0.443
SAD-SAT-5b1897b2-2
0.437
MAK-UNK-6ca90168-14
0.435
DRR-IMP-38dce17f-7
0.435
DRR-IMP-38dce17f-1
0.420
SAD-SAT-bc31ec01-1
0.414
DAV-CRI-d1e0885a-2
0.410
DAV-CRI-d1e0885a-3
0.402
MAK-UNK-849bee6c-24
0.402
AAR-POS-0daf6b7e-13
0.400
MAK-UNK-212f693e-8
0.400
LON-WEI-8f408cad-7
0.400
DAR-DIA-fb20be43-4
0.395
PAU-UNI-52c0427f-1
0.395
BRU-LEF-ae0885ba-1
0.395
MAT-POS-ee51dedd-1
0.395
LON-WEI-8f408cad-5
0.394
AAR-POS-0daf6b7e-17
0.394
TAM-UNI-d1c3dd9f-17
0.390
MED-COV-4280ac29-35
0.390
AHN-SAT-de2502ba-15
0.387
DAR-DIA-fb20be43-3
0.386
MAK-UNK-849bee6c-18
0.385
DRR-IMP-38dce17f-3
0.382
MAK-UNK-7c9d1431-24
0.382
MAK-UNK-849bee6c-19
0.380
MAK-UNK-849bee6c-25
0.379
MAK-UNK-7c9d1431-29
0.377
MAK-UNK-10dfa458-43
0.376
MAK-UNK-10dfa458-38
0.375
PAU-UNI-b2b6b158-1
0.375
AAR-POS-0daf6b7e-2
0.375
MAK-UNK-af83ef51-22
0.372
SAD-SAT-581007d4-4
0.372
PAU-UNI-8cdd41c7-1
0.371
DRR-IMP-38dce17f-6
0.371
MAR-LAB-ca4662a6-2
0.370
DRR-IMP-38dce17f-4
0.370
JOH-UNI-27ac80fd-23
0.370
AAR-POS-0daf6b7e-12
0.370
MAK-UNK-849bee6c-20
0.367
MAK-UNK-849bee6c-2
0.366
AAR-POS-d2a4d1df-24
0.365
MAK-UNK-7c9d1431-20
0.365
SAD-SAT-581007d4-2
0.365
DAR-DIA-fb20be43-6
0.365
MAK-UNK-849bee6c-22
0.365
MAK-UNK-849bee6c-14
0.364
MAK-UNK-849bee6c-1
0.362
STE-UNK-13e151dd-1
0.361
NEH-REV-107bcf72-5
0.360
NAU-LAT-64f4b287-3
0.357
DAR-DIA-fb20be43-1
0.357
DRR-IMP-38dce17f-5
0.356
MAK-UNK-7c9d1431-28
0.356
SAD-SAT-581007d4-3
0.354
AAR-POS-d2a4d1df-40
0.354
MED-COV-4280ac29-31
0.354
MAK-UNK-849bee6c-21
0.354
MAK-UNK-849bee6c-23
0.354
DAR-DIA-fb20be43-5
0.353
JOH-UNI-0e1753c1-3
0.351
MED-COV-4280ac29-15
0.351
HYO-UNK-49a60884-1
0.351
AAR-POS-d2a4d1df-35
0.351
MAK-UNK-10dfa458-44
0.351
MAK-UNK-6ca90168-8
0.350
SEL-UNI-cd366922-6
0.350
MAK-UNK-849bee6c-26
0.350
MAK-UNK-849bee6c-7
0.349
SAD-SAT-581007d4-7
0.347
SAD-SAT-581007d4-1
0.347
JIA-UNI-93b03cae-1
0.347
MAT-POS-2db6411e-2
0.347
JOK-SYG-18591e8f-1
0.346
MAK-UNK-6ca90168-7
0.346
MAK-UNK-849bee6c-9
0.345
MAK-UNK-6ca90168-18
0.344
MAK-UNK-6ca90168-9
0.342
DRR-IMP-38dce17f-2
0.342
SAD-SAT-5b1897b2-5
0.342
SAD-SAT-65574d3f-10
0.342
MAK-UNK-e4a48a85-1
0.341
JOH-UNI-27ac80fd-38
0.341
JOH-UNI-27ac80fd-39
0.341
MAK-UNK-849bee6c-4
0.341
MAK-UNK-849bee6c-16
0.341
TAM-UNI-d1c3dd9f-1
0.340
JOO-PER-d7ab4f65-1
0.340
DAR-DIA-fb20be43-16
0.340
MAK-UNK-849bee6c-8
0.340
MAK-UNK-987948f6-3
0.338
MAR-TRE-6a44bbf2-12
0.338
MED-COV-4280ac29-33
0.338