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DocumentationIdentifier: MM111775
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM111775 |
| SMILES |
CCC(C)C(=O)OC
|
| InChIKey |
OCWLYWIFNDCWRZ-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
1.21
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 | 0.8046 |
|---|---|
| Cosine metric | 0.897 |
| Dice metric | 0.8917 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 3
Total passive interactions
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
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Total active interactions
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+736 more
