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DocumentationIdentifier: MM299860
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM299860 |
| SMILES |
O=CC(CO)CC(=O)O
|
| InChIKey |
UQAQJBVGXAQFBO-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.73
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 | 0.7451 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8539 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 1
Total passive interactions
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| LogP: | 0.09 |
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| AI: | 0
Total active interactions
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| MW: | 130.1 |
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| PI: | 3
Total passive interactions
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| LogP: | -0.52 |
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|---|---|---|---|---|---|
| AI: | 0
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+255 more
