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DocumentationIdentifier: MM261107
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM261107 |
| SMILES |
CC(F)=COC=C(F)C#N
|
| InChIKey |
AYNBWKVZBUHVDO-UHFFFAOYSA-N
|
| MW [Da] |
145.11
Automatically obtained from RDkit software. |
| LogP |
2.17
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 | 0.9481 |
|---|---|
| Cosine metric | 0.9737 |
| Dice metric | 0.9733 |
| MW: | 138.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 2
Total passive interactions
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Total active interactions
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MM171380
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| Tanimoto metric | 0.9221 |
|---|---|
| Cosine metric | 0.9602 |
| Dice metric | 0.9595 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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