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DocumentationIdentifier: MM223922
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223922 |
| SMILES |
N#CC(F)C(=O)C(F)(F)F
|
| InChIKey |
KOSAAJOYNPDBQG-UHFFFAOYSA-N
|
| MW [Da] |
155.05
Automatically obtained from RDkit software. |
| LogP |
0.98
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 | 0.626 |
|---|---|
| Cosine metric | 0.7912 |
| Dice metric | 0.77 |
| MW: | 137.06 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.39 |
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Total active interactions
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+50 more
