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DocumentationIdentifier: MM111892
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111892 |
| SMILES |
C=C(CC)C(C)C=O
|
| InChIKey |
WHQOAMHSQJPPJN-UHFFFAOYSA-N
|
| MW [Da] |
112.17
Automatically obtained from RDkit software. |
| LogP |
1.79
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: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.97 |
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| AI: | 0
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Total passive interactions
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