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DocumentationIdentifier: MM84030
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84030 |
| SMILES |
C#CC#CC(=O)OCC#N
|
| InChIKey |
ZVQSLYDVZZHVGW-UHFFFAOYSA-N
|
| MW [Da] |
133.11
Automatically obtained from RDkit software. |
| LogP |
-0.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46542
Similarity: 0.8526
Similarity to MM46542
| Tanimoto metric | 0.8526 |
|---|---|
| Cosine metric | 0.9234 |
| Dice metric | 0.9205 |
| MW: | 123.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158545
Similarity: 0.8
Similarity to MM158545
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM83998
Similarity: 0.757
Similarity to MM83998
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8618 |
| Dice metric | 0.8617 |
| MW: | 139.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.95 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+272 more
