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DocumentationIdentifier: MM253721
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM253721 |
| SMILES |
CC(=CC=C(F)F)CC=O
|
| InChIKey |
XWODAYHFEKMWRC-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
2.3
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 | 0.8471 |
|---|---|
| Cosine metric | 0.9204 |
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| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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Total passive interactions
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| LogP: | 3.12 |
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