Molecular Properties | |
SMILES: | N#CC(=O)N1CCN(C(=O)CCl)CC1 |
MW: | 215.05 |
Fraction sp3: | 0.62 |
HBA: | 3 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 64.41 |
cLogP: | -0.58 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
Cyano carbonyl compounds
N-C-Hal or cyano methyl
acyl_cyanide
AAR-POS-d2a4d1df-24
SAD-SAT-1b030f84-9
0.633
MAK-UNK-6ca90168-18
0.579
AAR-POS-0daf6b7e-21
0.528
MAK-UNK-704ed37c-11
0.514
MAK-UNK-6ca90168-16
0.475
MAK-UNK-987948f6-5
0.475
MAK-UNK-704ed37c-12
0.463
MAK-UNK-6c8f5f75-1
0.463
VIK-SYN-9a3d118a-1
0.455
MAK-UNK-987948f6-4
0.452
SAD-SAT-1b030f84-8
0.452
SAD-SAT-5b1897b2-9
0.452
MAK-UNK-704ed37c-10
0.452
MAK-UNK-4b073b5c-16
0.444
TOB-UNK-c2aba166-1
0.442
MAK-UNK-95198336-3
0.441
VIK-SYN-bf9c9ac8-1
0.432
VIK-SYN-bf9c9ac8-2
0.432
MAK-UNK-704ed37c-13
0.432
YOI-UNK-15f562e8-4
0.432
MAK-UNK-987948f6-3
0.431
SAD-SAT-d8079f6f-5
0.421
SAD-SAT-d8079f6f-3
0.421
SAD-SAT-89668ff1-8
0.415
MAK-UNK-52a1ef4b-1
0.413
SAD-SAT-d8079f6f-6
0.410
DRR-IMP-db50bf6e-3
0.408
MAK-UNK-6ca90168-9
0.407
DRR-IMP-38dce17f-7
0.404
MAK-UNK-6ca90168-14
0.404
MAR-TRE-6a44bbf2-61
0.400
AAR-POS-d2a4d1df-29
0.400
SAD-SAT-bc31ec01-2
0.400
MAK-UNK-f983951f-21
0.400
SAD-SAT-1b030f84-5
0.392
WAR-XCH-b0339bbe-18
0.391
SAD-SAT-d8079f6f-4
0.390
MAR-TRE-6a44bbf2-92
0.389
MAK-UNK-987948f6-2
0.388
SWA-SYN-d2e6fa14-7
0.386
SWA-SYN-6423ea73-7
0.386
MAK-UNK-6ca90168-6
0.386
MAK-UNK-95198336-9
0.381
MAK-UNK-7c9d1431-29
0.380
MAK-UNK-6ca90168-15
0.377
SAD-SAT-1b030f84-4
0.377
DRR-IMP-dff87f5e-9
0.375
MAR-TRE-6a44bbf2-77
0.375
MAK-UNK-52a1ef4b-2
0.373
PAU-UNI-8cdd41c7-1
0.373
AAR-POS-d2a4d1df-25
0.373
AHN-SAT-de2502ba-8
0.373
DRR-IMP-db50bf6e-1
0.373
MAK-UNK-6ca90168-20
0.373
MAK-UNK-52a1ef4b-3
0.373
SAD-SAT-3a925b8b-5
0.373
SAD-SAT-3a925b8b-4
0.373
SAD-SAT-581007d4-5
0.370
SAD-SAT-edc8a235-7
0.370
MAK-UNK-6ca90168-8
0.367
JOH-UNI-27ac80fd-25
0.365
AAR-POS-0daf6b7e-16
0.365
SAD-SAT-3a925b8b-1
0.365
MAK-UNK-750cfbcc-1
0.364
SAD-SAT-5b1897b2-8
0.364
MAR-TRE-6a44bbf2-29
0.362
SAD-SAT-581007d4-6
0.362
MAK-UNK-6ca90168-7
0.361
VIK-SYN-9a3d118a-4
0.360
MAR-TRE-6a44bbf2-87
0.360
DRR-IMP-38dce17f-3
0.360
MAK-UNK-7c9d1431-24
0.360
VIK-SYN-bf9c9ac8-7
0.360
MAK-UNK-6ca90168-10
0.358
DRR-IMP-dff87f5e-4
0.358
AHN-SAT-de2502ba-7
0.358
SAD-SAT-65574d3f-9
0.358
DRR-IMP-38dce17f-1
0.358
MAK-UNK-4b073b5c-17
0.357
MAT-POS-ee51dedd-1
0.356
MAK-UNK-10dfa458-39
0.356
DAV-CRI-d1e0885a-1
0.356
DRR-IMP-11d47bff-1
0.353
MAT-POS-162a9720-4
0.353
SAD-SAT-5b1897b2-6
0.353
MAR-TRE-6a44bbf2-56
0.353
AAR-POS-d2a4d1df-44
0.352
MAK-UNK-10dfa458-20
0.352
ASH-SAT-43770c7d-10
0.352
AAR-POS-0daf6b7e-2
0.352
DRR-IMP-dff87f5e-3
0.352
SAD-SAT-bc31ec01-1
0.352
SAD-SAT-bc31ec01-5
0.352
MAT-POS-162a9720-5
0.352
MAK-UNK-95198336-6
0.351
MAK-UNK-95198336-7
0.351
MAK-UNK-95198336-4
0.351
AAR-POS-d2a4d1df-37
0.350
MAR-TRE-6a44bbf2-7
0.350
SIM-SYN-f15aaa3a-1
0.346