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DocumentationIdentifier: MM393876
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM393876 |
| SMILES |
N#CC(OC=CF)C(F)F
|
| InChIKey |
ARZMVMPQISUSDG-UHFFFAOYSA-N
|
| MW [Da] |
151.09
Automatically obtained from RDkit software. |
| LogP |
1.6
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 | 0.8214 |
|---|---|
| Cosine metric | 0.9063 |
| Dice metric | 0.902 |
| MW: | 133.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.31 |
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| Tanimoto metric | 0.7377 |
|---|---|
| Cosine metric | 0.8504 |
| Dice metric | 0.8491 |
| MW: | 151.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+198 more
