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DocumentationIdentifier: MM167848
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM167848 |
| SMILES |
O=COCCC(F)=CF
|
| InChIKey |
WPQKWZMOISOSAR-UHFFFAOYSA-N
|
| MW [Da] |
136.1
Automatically obtained from RDkit software. |
| LogP |
1.33
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 | 0.7922 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 122.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.03 |
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| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8605 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.72 |
||||
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| AI: | 0
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