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DocumentationIdentifier: MM108182
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM108182 |
| SMILES |
CCCC(F)C(C)=O
|
| InChIKey |
YNUOORLDRNYLCE-UHFFFAOYSA-N
|
| MW [Da] |
118.15
Automatically obtained from RDkit software. |
| LogP |
1.71
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 | 0.8082 |
|---|---|
| Cosine metric | 0.899 |
| Dice metric | 0.8939 |
| MW: | 132.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.89 |
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| AI: | 0
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| PI: | 3
Total passive interactions
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| LogP: | 2.1 |
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MM172345
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|---|---|---|---|---|---|
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| LogP: | 2.1 |
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+474 more
