Molecular Properties | |
SMILES: | N#CC(=O)N1CCN(S(=O)(=O)c2cccs2)CC1 |
MW: | 285.02 |
Fraction sp3: | 0.4 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 81.48 |
cLogP: | 0.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Cyano carbonyl compounds
N-C-Hal or cyano methyl
Hetero_hetero
acyl_cyanide
LON-WEI-8f408cad-3
MAK-UNK-6435e6c2-1
0.667
MAK-UNK-10dfa458-4
0.618
LON-WEI-8f408cad-3
0.618
MAR-TRE-6a44bbf2-52
0.618
AAR-POS-d2a4d1df-22
0.618
BEN-DND-03ad4429-7
0.618
BEN-DND-76ad4ac9-13
0.565
BEN-DND-03406596-5
0.565
MAK-UNK-10dfa458-46
0.534
BEN-DND-03ad4429-8
0.530
MAK-UNK-10dfa458-27
0.525
BEN-DND-03ad4429-5
0.491
MAK-UNK-10dfa458-29
0.484
BEN-DND-76ad4ac9-1
0.475
MAK-UNK-10dfa458-30
0.459
BEN-DND-03ad4429-6
0.435
MAK-UNK-10dfa458-21
0.435
SAD-SAT-f2e2579e-8
0.423
JAG-SYN-9c2cd0bd-2
0.385
PEI-IMP-3d837503-4
0.381
JAR-KUA-8c13982c-2
0.372
MAK-UNK-10dfa458-20
0.354
NAU-LAT-64f4b287-1
0.338
YUN-WES-58b0dbae-2
0.336
YUN-WES-64c64eb2-1
0.336
MAK-UNK-3f402c2b-1
0.329
AAR-POS-0daf6b7e-15
0.328
MAR-TRE-04c86cea-49
0.325
SAD-SAT-2fd372d1-1
0.324
NIM-UNI-05f93fcc-1
0.324
MAK-UNK-69bf97dd-10
0.322
DRR-IMP-dff87f5e-4
0.318
MAK-UNK-4c6b313a-1
0.317
MAK-UNK-6435e6c2-10
0.317
MAK-UNK-6435e6c2-11
0.317
MAK-UNK-6ca90168-17
0.316
MAR-TRE-6a44bbf2-7
0.315
AAR-POS-d2a4d1df-37
0.315
DRR-IMP-dff87f5e-9
0.314
MAK-UNK-987948f6-15
0.314
MAK-UNK-902cc841-9
0.310
MAT-POS-ee51dedd-2
0.309
MAK-UNK-6435e6c2-6
0.308
NIM-UNI-05f93fcc-13
0.308
DAV-SYG-f22c749d-11
0.307
MAK-UNK-009ebe36-9
0.307
DAV-SYG-f22c749d-12
0.304
AAR-POS-d2a4d1df-32
0.304
MAR-TRE-6a44bbf2-4
0.304
LON-WEI-8f408cad-2
0.304
NIM-UNI-05f93fcc-2
0.299
MAR-TRE-6a44bbf2-21
0.299
SAD-SAT-bc31ec01-9
0.299
MAK-UNK-7c9d1431-9
0.299
NIM-UNI-310206f0-69
0.295
MAK-UNK-10dfa458-18
0.294
JAG-SYN-9c2cd0bd-13
0.292
NIM-UNI-05f93fcc-3
0.291
MAK-UNK-902cc841-7
0.291
PEI-IMP-ca0b2813-2
0.290
JAG-SYN-9c2cd0bd-1
0.290
NIM-UNI-05f93fcc-5
0.287
MAK-UNK-7c9d1431-12
0.286
NIM-UNI-05f93fcc-11
0.286
PEI-IMP-3d837503-2
0.284
DAN-MCD-50ec7d1f-1
0.282
LON-WEI-8f408cad-4
0.282
BEN-DND-03406596-10
0.282
MAR-TRE-6a44bbf2-18
0.282
AAR-POS-d2a4d1df-23
0.282
NIM-UNI-05f93fcc-6
0.280
NIM-UNI-05f93fcc-10
0.280
NIM-UNI-05f93fcc-15
0.280
MAK-UNK-7c9d1431-19
0.280
MAK-UNK-6435e6c2-5
0.279
MAR-TRE-4b834d9a-65
0.279
NIM-UNI-05f93fcc-14
0.278
DRR-IMP-dff87f5e-6
0.278
MAK-UNK-7c9d1431-6
0.278
MAK-UNK-7c9d1431-17
0.278
DRR-IMP-dff87f5e-5
0.278
PEI-IMP-ca0b2813-1
0.278
MAR-TRE-6a44bbf2-8
0.278
AAR-POS-d2a4d1df-34
0.278
BEN-DND-76ad4ac9-12
0.276
BEN-DND-03406596-2
0.276
MAK-UNK-c74072e5-4
0.276
AAR-POS-d2a4d1df-44
0.275
DRR-IMP-dff87f5e-3
0.275
DRR-IMP-dff87f5e-8
0.274
ABB-MCD-f8003a30-1
0.274
JAG-SYN-9c2cd0bd-12
0.274
MAR-TRE-6a44bbf2-32
0.274
PEI-IMP-668afc53-2
0.274
BEN-DND-76ad4ac9-11
0.273
BEN-DND-76ad4ac9-14
0.273
PEI-IMP-ca0b2813-3
0.273
ALE-MCD-a1893bfb-1
0.273
BEN-DND-03406596-3
0.273
BEN-DND-03406596-9
0.273