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DocumentationIdentifier: MM145955
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145955 |
| SMILES |
CC(F)C#CC(F)C#N
|
| InChIKey |
CGIBWVBUUQAOHY-UHFFFAOYSA-N
|
| MW [Da] |
129.11
Automatically obtained from RDkit software. |
| LogP |
1.21
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 | 0.9706 |
|---|---|
| Cosine metric | 0.9852 |
| Dice metric | 0.9851 |
| MW: | 140.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.71 |
||||
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| AI: | 0
Total active interactions
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Total passive interactions
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Total passive interactions
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| LogP: | 1.26 |
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+895 more
