Molecular Properties | |
SMILES: | N#CC(=O)N1CCN(S(=O)(=O)c2ccsc2)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-6435e6c2-10
0.673
MAK-UNK-6435e6c2-11
0.673
MAK-UNK-4c6b313a-1
0.673
SAD-SAT-bc31ec01-9
0.623
MAK-UNK-10dfa458-18
0.611
MAT-POS-ee51dedd-2
0.600
MAK-UNK-10dfa458-29
0.542
MAK-UNK-10dfa458-26
0.534
MAK-UNK-10dfa458-30
0.492
MAK-UNK-7264f48c-1
0.486
MAK-UNK-10dfa458-27
0.483
MAK-UNK-7264f48c-2
0.459
MAK-UNK-7264f48c-5
0.452
MAK-UNK-10dfa458-20
0.450
MAK-UNK-7264f48c-4
0.434
PEI-IMP-3d837503-4
0.433
MAK-UNK-7264f48c-6
0.429
MAK-UNK-7264f48c-3
0.423
WAR-XCH-e55cba98-8
0.372
WAR-XCH-e55cba98-4
0.362
DRR-IMP-dff87f5e-9
0.358
MAK-UNK-10dfa458-21
0.354
JAG-SYN-9c2cd0bd-2
0.348
MAK-UNK-6435e6c2-5
0.344
ALE-MCD-a1893bfb-1
0.339
DAN-MCD-3ec20f87-1
0.338
SAD-SAT-2fd372d1-4
0.333
MAK-UNK-902cc841-8
0.333
MAK-UNK-6435e6c2-1
0.333
ANT-OPE-7824651a-2
0.333
MAR-TRE-6a44bbf2-78
0.328
MAK-UNK-7c9d1431-13
0.328
PEI-IMP-3d837503-2
0.328
DAN-MCD-5c762fbe-1
0.324
MAK-UNK-7c9d1431-9
0.323
MAR-TRE-6a44bbf2-21
0.323
MAT-POS-b5746674-55
0.323
DAN-MCD-f396e45b-1
0.322
DAN-MCD-9cdc9f7f-1
0.322
MAK-UNK-6ca90168-17
0.321
MAK-UNK-7c9d1431-6
0.319
DAN-MCD-02570321-1
0.319
AAR-POS-d2a4d1df-44
0.318
DRR-IMP-dff87f5e-3
0.318
MAR-TRE-6a44bbf2-32
0.314
ABB-MCD-f8003a30-1
0.314
MAR-TRE-6a44bbf2-58
0.313
DRR-IMP-dff87f5e-1
0.313
KAY-MCD-d0fe5261-1
0.313
AAR-POS-d2a4d1df-27
0.313
MAR-TRE-6a44bbf2-68
0.313
DRR-IMP-dff87f5e-7
0.313
SAD-SAT-3a925b8b-2
0.313
PEI-IMP-ca0b2813-2
0.313
MAR-LAB-efb042c5-5
0.313
DAN-MCD-cb24a79d-1
0.310
DAN-MCD-68a9aade-1
0.310
DAN-MCD-e5161b06-1
0.310
DAN-MCD-a37c31cb-1
0.310
MAT-POS-b5746674-56
0.309
JAY-UNK-11f5bdbd-1
0.309
SAD-SAT-b55127ae-5
0.309
LON-WEI-8f408cad-4
0.304
DAN-MCD-50ec7d1f-1
0.304
BEN-DND-03406596-10
0.304
AAR-POS-d2a4d1df-23
0.304
BEN-DND-03ad4429-3
0.304
MAK-UNK-10dfa458-5
0.304
MAR-TRE-6a44bbf2-18
0.304
MAK-UNK-212f693e-20
0.303
ANT-OPE-7824651a-1
0.303
DAN-MCD-7eba3d41-1
0.302
DAN-MCD-c163c0bb-1
0.302
TAT-ENA-80bfd3e5-43
0.301
KEN-MCD-6084b33e-1
0.301
MAR-TRE-6a44bbf2-65
0.301
MAK-UNK-7c9d1431-11
0.301
MAK-UNK-7c9d1431-19
0.301
MAR-TRE-6a44bbf2-26
0.300
DRR-IMP-dff87f5e-6
0.300
MAK-UNK-7c9d1431-8
0.300
MAK-UNK-c74072e5-8
0.300
MAK-UNK-7c9d1431-17
0.300
PEI-IMP-ca0b2813-1
0.300
SAD-SAT-bc31ec01-5
0.299
MAK-UNK-23561bf6-1
0.297
MAK-UNK-212f693e-6
0.297
SAD-SAT-f2e2579e-10
0.296
SAD-SAT-bc31ec01-4
0.296
MAK-UNK-7c9d1431-10
0.296
DRR-IMP-dff87f5e-8
0.296
DAN-MCD-9b81d1fa-1
0.295
DAN-MCD-b3a5626f-1
0.295
DAN-MCD-3bfdcef2-1
0.295
DAN-MCD-0c04f563-1
0.295
DAN-MCD-93e7aadc-1
0.295
MAK-UNK-6ca90168-19
0.295
LON-WEI-8f408cad-3
0.294
AAR-POS-d2a4d1df-22
0.294
MAR-TRE-6a44bbf2-52
0.294