Molecular Properties | |
SMILES: | CC(C(=O)N1CCN(C(=O)CCl)CC1)c1ccccc1C#N |
MW: | 319.11 |
Fraction sp3: | 0.44 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 64.41 |
cLogP: | 1.57 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
AAR-POS-d2a4d1df-24
MAK-UNK-6ca90168-8
0.641
MAK-UNK-6ca90168-9
0.478
MAK-UNK-6ca90168-6
0.457
MAR-TRE-6a44bbf2-7
0.425
AAR-POS-d2a4d1df-37
0.425
SAD-SAT-89668ff1-8
0.420
MAK-UNK-987948f6-3
0.391
MAK-UNK-6ca90168-18
0.383
MAR-TRE-6a44bbf2-92
0.380
MAK-UNK-987948f6-2
0.379
MAK-UNK-6ca90168-5
0.378
MAK-UNK-6ca90168-10
0.377
DAV-CRI-d1e0885a-1
0.373
GIA-UNK-7337c2f3-6
0.368
MED-COV-4280ac29-24
0.366
MAK-UNK-af83ef51-2
0.365
MAK-UNK-6ca90168-17
0.361
MAK-UNK-704ed37c-12
0.361
GIA-UNK-7337c2f3-9
0.359
SAD-SAT-1b030f84-9
0.358
DAR-DIA-3e9bbd81-11
0.358
MAK-UNK-10dfa458-39
0.355
MAK-UNK-6ca90168-14
0.352
MAK-UNK-6ca90168-11
0.352
DRR-IMP-38dce17f-7
0.352
MAR-TRE-6a44bbf2-77
0.351
GIA-UNK-7337c2f3-3
0.351
AHN-SAT-de2502ba-8
0.348
AAR-POS-d2a4d1df-25
0.348
SIM-SYN-f15aaa3a-1
0.348
DRR-IMP-db50bf6e-2
0.347
DAV-CRI-d1e0885a-6
0.346
AAR-POS-0daf6b7e-21
0.345
VIK-SYN-bf9c9ac8-1
0.344
YOI-UNK-15f562e8-4
0.344
MAK-UNK-6ca90168-4
0.342
SWA-SYN-d2e6fa14-7
0.342
SWA-SYN-6423ea73-7
0.342
DAV-CRI-d1e0885a-4
0.341
SAD-SAT-f2e2579e-4
0.341
MAK-UNK-704ed37c-11
0.339
VIK-SYN-9a3d118a-1
0.338
DRR-IMP-38dce17f-3
0.338
MAK-UNK-7c9d1431-24
0.338
AHN-SAT-de2502ba-7
0.338
GIA-UNK-20b63697-7
0.338
MAT-POS-ee51dedd-1
0.338
GIA-UNK-7337c2f3-7
0.338
TAM-UNI-d1c3dd9f-17
0.337
WAR-XCH-72a8c209-6
0.337
VIK-SYN-9a3d118a-2
0.333
MAK-UNK-6ca90168-15
0.333
SAD-SAT-89668ff1-3
0.333
VIK-SYN-bf9c9ac8-6
0.333
ASH-SAT-43770c7d-10
0.333
DRR-IMP-db50bf6e-3
0.333
DRR-IMP-dff87f5e-9
0.333
DAR-DIA-fb20be43-6
0.329
DAV-CRI-d1e0885a-5
0.329
MAK-UNK-6ca90168-20
0.329
AAR-POS-d2a4d1df-29
0.329
MAR-TRE-6a44bbf2-61
0.329
DRR-IMP-db50bf6e-1
0.329
SAD-SAT-3a925b8b-5
0.329
MAK-UNK-10dfa458-38
0.326
DAV-CRI-d1e0885a-2
0.326
GIA-UNK-7337c2f3-8
0.325
GIA-UNK-7337c2f3-12
0.325
MAK-UNK-6ca90168-1
0.325
MAK-UNK-6ca90168-3
0.325
STE-KUL-2e0d2e88-1
0.325
GIA-UNK-7337c2f3-1
0.325
MAR-TRE-6a44bbf2-29
0.325
GIA-UNK-20b63697-1
0.325
MAK-UNK-7c9d1431-12
0.324
MAK-UNK-7c9d1431-23
0.324
MED-COV-4280ac29-6
0.324
SWA-SYN-6423ea73-1
0.324
SWA-SYN-d2e6fa14-1
0.324
AAR-POS-d2a4d1df-24
0.324
MAK-UNK-7c9d1431-20
0.324
MAR-TRE-6a44bbf2-28
0.324
AHN-SAT-de2502ba-14
0.324
SAD-SAT-65574d3f-1
0.324
AAR-POS-0daf6b7e-16
0.324
SAD-SAT-5b1897b2-10
0.324
MED-COV-4280ac29-34
0.323
MAK-UNK-987948f6-5
0.323
TAM-UNI-d1c3dd9f-18
0.321
MED-COV-4280ac29-23
0.321
GIA-UNK-7337c2f3-4
0.321
MAR-TRE-6a44bbf2-21
0.319
SAD-SAT-65574d3f-9
0.319
MAK-UNK-7c9d1431-9
0.319
SAD-SAT-5b1897b2-3
0.319
DAR-DIA-fb20be43-3
0.318
MAK-UNK-7c9d1431-11
0.316
TAT-ENA-80bfd3e5-43
0.316
MAK-UNK-7c9d1431-19
0.316
MAR-TRE-6a44bbf2-65
0.316