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DocumentationIdentifier: MM382676
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM382676 |
| SMILES |
CCC(=CCO)C(O)CO
|
| InChIKey |
XTBGYQFOWYWZSY-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
-0.33
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 | 0.8448 |
|---|---|
| Cosine metric | 0.9191 |
| Dice metric | 0.9159 |
| MW: | 130.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.7 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | -0.72 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.09 |
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