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Documentation3-hydroxyglutaric Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM467645 |
| SMILES |
O=C(O)CC(O)CC(=O)O
|
| InChIKey |
ZQHYXNSQOIDNTL-UHFFFAOYSA-N
|
| MW [Da] |
148.11
Automatically obtained from RDkit software. |
| LogP |
-0.7
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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MM302606
Similarity: 0.9231
Similarity to MM302606
| Tanimoto metric | 0.9231 |
|---|---|
| Cosine metric | 0.9608 |
| Dice metric | 0.96 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM243512
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| Tanimoto metric | 0.7949 |
|---|---|
| Cosine metric | 0.8916 |
| Dice metric | 0.8857 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.23 |
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| AI: | 0
Total active interactions
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MM286781
Similarity: 0.6792
Similarity to MM286781
| Tanimoto metric | 0.6792 |
|---|---|
| Cosine metric | 0.8152 |
| Dice metric | 0.809 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+245 more
