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DocumentationIdentifier: MM107336
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107336 |
| SMILES |
CCCC(=O)OCC
|
| InChIKey |
OBNCKNCVKJNDBV-UHFFFAOYSA-N
|
| MW [Da] |
116.16
Automatically obtained from RDkit software. |
| LogP |
1.35
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 | 0.8451 |
|---|---|
| Cosine metric | 0.9193 |
| Dice metric | 0.916 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.53 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 3
Total passive interactions
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| LogP: | 1.74 |
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Total passive interactions
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| LogP: | 0.71 |
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+777 more
