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DocumentationIdentifier: MM165947
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM165947 |
| SMILES |
CCOCCC(C)C=O
|
| InChIKey |
AEJNLLWIQQCTFB-UHFFFAOYSA-N
|
| MW [Da] |
130.19
Automatically obtained from RDkit software. |
| LogP |
1.25
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 | 0.8923 |
|---|---|
| Cosine metric | 0.9446 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.43 |
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| AI: | 0
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Total passive interactions
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+723 more
