Molecular Properties | |
SMILES: | CC(C#N)C(C(=O)N1CCN(C(=O)CCl)CC1)S(N)(=O)=O |
MW: | 336.07 |
Fraction sp3: | 0.73 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 124.57 |
cLogP: | -1.29 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
SAD-SAT-1b030f84-8
0.434
SAD-SAT-1b030f84-9
0.422
MAK-UNK-6ca90168-7
0.420
YOI-UNK-15f562e8-4
0.418
VIK-SYN-bf9c9ac8-1
0.418
MAK-UNK-6ca90168-18
0.415
MAK-UNK-6ca90168-17
0.415
AAR-POS-0daf6b7e-21
0.400
MAK-UNK-987948f6-5
0.396
MAR-TRE-6a44bbf2-77
0.394
MAK-UNK-704ed37c-11
0.392
MAK-UNK-704ed37c-12
0.389
VIK-SYN-9a3d118a-1
0.386
MAK-UNK-6ca90168-8
0.386
MAK-UNK-987948f6-4
0.382
VIK-SYN-bf9c9ac8-2
0.368
SAD-SAT-bc31ec01-4
0.368
MAR-TRE-6a44bbf2-92
0.364
MAK-UNK-6ca90168-6
0.362
MAK-UNK-987948f6-3
0.354
MAK-UNK-7c9d1431-19
0.352
SWA-SYN-6423ea73-5
0.349
SWA-SYN-d2e6fa14-5
0.349
MAK-UNK-6ca90168-16
0.345
MAK-UNK-704ed37c-13
0.345
SAD-SAT-3a925b8b-1
0.344
MAK-UNK-6ca90168-4
0.343
SAD-SAT-581007d4-6
0.343
MAR-TRE-6a44bbf2-29
0.343
MAK-UNK-6c8f5f75-1
0.339
MAK-UNK-6ca90168-10
0.338
AAR-POS-0daf6b7e-18
0.338
MAK-UNK-6ca90168-9
0.338
MAK-UNK-10dfa458-39
0.338
TAM-UNI-d1c3dd9f-17
0.338
MAK-UNK-6ca90168-14
0.333
SAD-SAT-581007d4-4
0.333
MAR-TRE-6a44bbf2-7
0.333
MAK-UNK-704ed37c-10
0.333
AAR-POS-d2a4d1df-37
0.333
MAK-UNK-7c9d1431-17
0.333
AAR-POS-0daf6b7e-19
0.333
VIR-GIT-7b3d3065-3
0.333
SAD-SAT-5b1897b2-9
0.333
SAD-SAT-3a925b8b-7
0.329
MAK-UNK-d4768348-1
0.328
MAR-TRE-6a44bbf2-52
0.328
MAR-TRE-6a44bbf2-68
0.328
AAR-POS-d2a4d1df-27
0.328
LON-WEI-8f408cad-3
0.328
SAD-SAT-3a925b8b-9
0.328
AAR-POS-d2a4d1df-22
0.328
MAR-LAB-efb042c5-5
0.328
AAR-POS-d2a4d1df-25
0.328
AHN-SAT-de2502ba-8
0.328
TOB-UNK-c2aba166-1
0.328
SAD-SAT-d8079f6f-5
0.327
PEI-IMP-ca0b2813-3
0.324
MAK-UNK-6ca90168-5
0.324
SWA-SYN-d2e6fa14-7
0.324
SWA-SYN-6423ea73-7
0.324
SWA-SYN-6423ea73-2
0.324
SWA-SYN-d2e6fa14-2
0.324
MAK-UNK-7c9d1431-13
0.324
MAK-UNK-7c9d1431-12
0.324
MAR-TRE-6a44bbf2-78
0.324
SAD-SAT-3a925b8b-3
0.324
SAD-SAT-3a925b8b-6
0.324
SAD-SAT-d8079f6f-6
0.321
MAK-UNK-e4a48a85-1
0.320
DAV-CRI-d1e0885a-1
0.319
MAR-TRE-6a44bbf2-24
0.319
MAK-UNK-d4768348-7
0.319
MAK-UNK-7c9d1431-9
0.318
MAR-TRE-6a44bbf2-21
0.318
SAD-SAT-65574d3f-9
0.318
MAK-UNK-987948f6-2
0.317
MAK-UNK-d4768348-9
0.315
SAD-SAT-581007d4-3
0.315
MAK-UNK-7c9d1431-6
0.314
MAK-UNK-7c9d1431-8
0.314
VIK-SYN-bf9c9ac8-6
0.314
MAR-TRE-6a44bbf2-26
0.314
VIK-SYN-9a3d118a-2
0.314
MAK-UNK-4b073b5c-16
0.314
SAD-SAT-bc31ec01-5
0.313
ASH-SAT-43770c7d-10
0.313
SAD-SAT-1b030f84-4
0.313
SAD-SAT-5b1897b2-4
0.313
AAR-POS-d2a4d1df-44
0.313
NIM-UNI-310206f0-25
0.312
MAK-UNK-c74072e5-6
0.312
MED-COV-4280ac29-37
0.312
MAK-UNK-52a1ef4b-1
0.311
SEL-UNI-cd366922-2
0.311
MAK-UNK-af83ef51-2
0.310
MAR-TRE-6a44bbf2-32
0.310
ABB-MCD-f8003a30-1
0.310
HAR-NEW-e34cb1ae-5
0.310
NIM-UNI-310206f0-13
0.310