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DocumentationIdentifier: MM15659
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15659 |
| SMILES |
C#CC(=O)OC(C#N)C#N
|
| InChIKey |
WUJUBJMHZCEQHX-UHFFFAOYSA-N
|
| MW [Da] |
134.09
Automatically obtained from RDkit software. |
| LogP |
-0.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43041
Similarity: 0.901
Similarity to MM43041
| Tanimoto metric | 0.901 |
|---|---|
| Cosine metric | 0.9492 |
| Dice metric | 0.9479 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264811
Similarity: 0.7521
Similarity to MM264811
| Tanimoto metric | 0.7521 |
|---|---|
| Cosine metric | 0.8594 |
| Dice metric | 0.8585 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Dicyanomethyl Acetate
Similarity: 0.7228
Similarity to Dicyanomethyl Acetate
| Tanimoto metric | 0.7228 |
|---|---|
| Cosine metric | 0.8502 |
| Dice metric | 0.8391 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+22 more
