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DocumentationIdentifier: MM28398
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM28398 |
| SMILES |
C#CC(=O)C(F)(F)F
|
| InChIKey |
GUQPXLIKMPWGPV-UHFFFAOYSA-N
|
| MW [Da] |
122.05
Automatically obtained from RDkit software. |
| LogP |
0.75
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 | 0.7821 |
|---|---|
| Cosine metric | 0.8843 |
| Dice metric | 0.8777 |
| MW: | 136.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| LogP: | 0.45 |
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Total active interactions
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Total passive interactions
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| LogP: | 0.32 |
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+94 more
