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DocumentationIdentifier: MM243906
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM243906 |
| SMILES |
C=CCC(C)(CF)C(=O)O
|
| InChIKey |
CSHQSNUPLDUFJG-UHFFFAOYSA-N
|
| MW [Da] |
146.16
Automatically obtained from RDkit software. |
| LogP |
1.62
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 | 0.7394 |
|---|---|
| Cosine metric | 0.8599 |
| Dice metric | 0.8502 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
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| AI: | 0
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Total passive interactions
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| LogP: | 1.46 |
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| Tanimoto metric | 0.6584 |
|---|---|
| Cosine metric | 0.7956 |
| Dice metric | 0.794 |
| MW: | 146.16 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.62 |
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|---|---|---|---|---|---|
| AI: | 0
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+72 more
