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DocumentationIdentifier: MM132777
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132777 |
| SMILES |
C#CCC(F)(F)C(C)=O
|
| InChIKey |
VABRGRJYGXTYRE-UHFFFAOYSA-N
|
| MW [Da] |
132.11
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 | 0.7071 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8284 |
| MW: | 114.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.94 |
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| AI: | 0
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| PI: | 2
Total passive interactions
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+225 more
