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DocumentationIdentifier: MM296778
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296778 |
| SMILES |
CC(O)CCC(O)C(=O)O
|
| InChIKey |
QDKYRZRRXQKVJI-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.41
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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2-Hydroxycaproic Acid
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Similarity to 2-Hydroxycaproic Acid
| Tanimoto metric | 0.8081 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8939 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 9
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM254763
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| Tanimoto metric | 0.7094 |
|---|---|
| Cosine metric | 0.83 |
| Dice metric | 0.83 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Similarity to MM295657
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8164 |
| Dice metric | 0.8163 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+316 more
