Molecular Properties | |
SMILES: | N#CC(=O)N1CCN(Cc2cccs2)CC1 |
MW: | 235.08 |
Fraction sp3: | 0.45 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 47.34 |
cLogP: | 0.92 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Cyano carbonyl compounds
N-C-Hal or cyano methyl
acyl_cyanide
LON-WEI-8f408cad-3
MAK-UNK-6435e6c2-2
0.660
MAK-UNK-10dfa458-2
0.611
AAR-POS-0daf6b7e-17
0.611
LON-WEI-8f408cad-5
0.611
MAK-UNK-10dfa458-20
0.526
MAK-UNK-902cc841-1
0.440
MAK-UNK-10dfa458-26
0.435
MAK-UNK-b1d4dcd7-4
0.425
SAD-SAT-1f400d17-8
0.424
MAK-UNK-b1d4dcd7-5
0.418
MAK-UNK-b1d4dcd7-3
0.412
MAK-UNK-b1d4dcd7-7
0.407
MAK-UNK-b1d4dcd7-2
0.402
MAK-UNK-b1d4dcd7-1
0.386
MAK-UNK-10dfa458-46
0.354
MAK-UNK-6ca90168-17
0.345
DAV-CRI-0207e898-1
0.337
NAU-LAT-f723e322-2
0.329
MAK-UNK-10dfa458-27
0.328
SAD-SAT-2fd372d1-1
0.328
DAV-CRI-d1e0885a-1
0.324
MAK-UNK-10dfa458-29
0.319
AAR-POS-0daf6b7e-2
0.318
MAK-UNK-212f693e-6
0.317
AAR-POS-0daf6b7e-12
0.313
MAK-UNK-10dfa458-30
0.313
AHN-SAT-02ef6d10-6
0.313
JOH-UNI-27ac80fd-24
0.313
JOH-UNI-27ac80fd-23
0.313
MAK-UNK-b1d4dcd7-10
0.311
SAD-SAT-b55127ae-10
0.309
NAU-LAT-64f4b287-3
0.308
MAK-UNK-3f402c2b-26
0.306
PAT-UNK-b2d83456-1
0.304
JOO-IND-6372a4f3-5
0.303
MAK-UNK-6435e6c2-3
0.302
MAK-UNK-6ca90168-14
0.299
DRR-IMP-38dce17f-7
0.299
DRR-IMP-38dce17f-4
0.294
MAK-UNK-b1d4dcd7-11
0.292
SAD-SAT-b55127ae-4
0.290
MAK-UNK-212f693e-7
0.288
MAT-POS-ee51dedd-1
0.288
LON-WEI-8f408cad-7
0.284
AAR-POS-0daf6b7e-13
0.284
MAK-UNK-212f693e-8
0.284
MAK-UNK-10dfa458-1
0.284
MAK-UNK-7c9d1431-24
0.281
DRR-IMP-38dce17f-3
0.281
MAK-UNK-7c9d1431-28
0.279
MAK-UNK-902cc841-2
0.277
JOH-UNI-27ac80fd-27
0.277
SAD-SAT-1f400d17-1
0.277
MED-COV-4280ac29-25
0.275
JOK-SYG-18591e8f-1
0.274
KIM-UNI-7d12df64-2
0.273
DRR-IMP-38dce17f-6
0.273
PAU-UNI-b2b6b158-1
0.273
MAK-UNK-b1d4dcd7-9
0.272
MED-COV-4280ac29-24
0.272
DOU-UNK-b5326f8f-8
0.269
AAR-POS-0daf6b7e-16
0.269
JAN-GHE-fd8d85a5-8
0.266
DAV-CRI-d1e0885a-6
0.266
DAV-CRI-d1e0885a-5
0.266
MAK-UNK-e4a48a85-21
0.265
DRR-IMP-38dce17f-1
0.265
DAV-CRI-d1e0885a-4
0.263
MAK-UNK-ed378e62-28
0.262
MAK-UNK-c74072e5-1
0.261
DRR-IMP-38dce17f-5
0.261
MAK-UNK-849bee6c-1
0.261
PAT-UNK-b2d83456-2
0.260
TAM-UNI-d1c3dd9f-17
0.259
JON-UIO-066ce08b-10
0.259
TAM-UNI-d1c3dd9f-18
0.259
MAK-UNK-7c9d1431-29
0.258
MED-COV-4280ac29-15
0.257
MAR-TRE-6a44bbf2-52
0.257
LON-WEI-8f408cad-3
0.257
AAR-POS-d2a4d1df-35
0.257
HYO-UNK-49a60884-1
0.257
JOH-UNI-0e1753c1-2
0.257
MAR-LAB-ca4662a6-2
0.257
JOH-UNI-0e1753c1-3
0.257
AAR-POS-d2a4d1df-22
0.257
JOO-IND-6372a4f3-6
0.256
JOH-UNI-27ac80fd-38
0.256
DAR-DIA-fb20be43-3
0.256
MAK-UNK-6ca90168-21
0.254
SAD-SAT-1f400d17-6
0.254
MAK-UNK-6435e6c2-1
0.254
WIL-LEE-23e8b574-2
0.254
MAR-TRE-6a44bbf2-92
0.254
AAR-POS-d2a4d1df-24
0.254
MAK-UNK-7c9d1431-20
0.254
JON-UIO-066ce08b-11
0.253
DAR-DIA-fb20be43-6
0.253
MAK-UNK-849bee6c-7
0.253
MAR-TRE-f6f5f473-15
0.253