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Documentation2-Hydroxybutyric Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM00597 |
| SMILES |
CC[C@H](O)C(=O)O
|
| InChIKey |
AFENDNXGAFYKQO-VKHMYHEASA-N
|
| MW [Da] |
104.11
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
11266
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM316607
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| Tanimoto metric | 0.7612 |
|---|---|
| Cosine metric | 0.8725 |
| Dice metric | 0.8644 |
| MW: | 120.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.19 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8725 |
| Dice metric | 0.8644 |
| MW: | 118.13 |
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|---|---|---|---|---|---|
| PI: | 9
Total passive interactions
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| LogP: | 0.23 |
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| AI: | 0
Total active interactions
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|---|---|
| Cosine metric | 0.8475 |
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| MW: | 118.13 |
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| PI: | 2
Total passive interactions
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| LogP: | 0.09 |
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+273 more
