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DocumentationIdentifier: MM330332
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330332 |
| SMILES |
CCC(=O)OC(C#N)C#N
|
| InChIKey |
GZPWWSWBWFOLNK-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM262869
Similarity: 0.7699
Similarity to MM262869
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.87 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
Dicyanomethyl Acetate
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Similarity to Dicyanomethyl Acetate
| Tanimoto metric | 0.7604 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.8639 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262868
Similarity: 0.7227
Similarity to MM262868
| Tanimoto metric | 0.7227 |
|---|---|
| Cosine metric | 0.8407 |
| Dice metric | 0.839 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+56 more
