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DocumentationIdentifier: MM179867
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179867 |
| SMILES |
C=CCC(CF)C(=O)O
|
| InChIKey |
UKUHDZVXLDBKGV-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
1.23
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 | 0.84 |
|---|---|
| Cosine metric | 0.9165 |
| Dice metric | 0.913 |
| MW: | 146.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.75 |
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| Cosine metric | 0.866 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.32 |
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MM243906
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| Tanimoto metric | 0.7394 |
|---|---|
| Cosine metric | 0.8599 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+257 more
