Identifier: MM26265
2D Structure
3D Structure
Source:
General | |
Identifier | MM26265 |
SMILES |
CC(C#N)CC=O
|
InChIKey |
KCPVAVSGLOKLBU-UHFFFAOYSA-N
|
MW [Da] |
97.12
Automatically obtained from RDkit software. |
LogP |
0.74
Automatically obtained from RDkit software. |
Links | |
PubChem |
N/A |
DrugBank |
N/A |
ChEBI |
N/A |
PDB |
N/A |
ChEMBL |
N/A |
Similar entries
2-(2-oxoethyl)propanedinitrile
Similarity: 0.8182
Similarity to 2-(2-oxoethyl)propanedinitrile
Tanimoto metric | 0.8182 |
---|---|
Cosine metric | 0.9045 |
Dice metric | 0.9 |
MW: | 108.1 |
||||
---|---|---|---|---|---|
PI: | 2
Total passive interactions
|
LogP: | 0.24 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM103076
Similarity: 0.75
Similarity to MM103076
Tanimoto metric | 0.75 |
---|---|
Cosine metric | 0.866 |
Dice metric | 0.8571 |
MW: | 111.14 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.13 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
MM116059
Similarity: 0.75
Similarity to MM116059
Tanimoto metric | 0.75 |
---|---|
Cosine metric | 0.866 |
Dice metric | 0.8571 |
MW: | 111.14 |
||||
---|---|---|---|---|---|
PI: | 3
Total passive interactions
|
LogP: | 1.13 |
||||
---|---|---|---|---|---|
AI: | 0
Total active interactions
|
+205 more