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DocumentationIdentifier: MM131936
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM131936 |
| SMILES |
C#CCC#CC(C)(F)F
|
| InChIKey |
CDGHWFMIROHEDZ-UHFFFAOYSA-N
|
| MW [Da] |
128.12
Automatically obtained from RDkit software. |
| LogP |
1.67
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 | 0.9143 |
|---|---|
| Cosine metric | 0.9562 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
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| AI: | 0
Total active interactions
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Total passive interactions
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