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DocumentationIdentifier: MM116972
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM116972 |
| SMILES |
CC(C)C(C=O)C=O
|
| InChIKey |
OLYHYJGOOMMTIH-UHFFFAOYSA-N
|
| MW [Da] |
114.14
Automatically obtained from RDkit software. |
| LogP |
0.66
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8571 |
|---|---|
| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | -0.99 |
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Total active interactions
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Total passive interactions
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| LogP: | 0.41 |
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+215 more
