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DocumentationIdentifier: MM175679
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM175679 |
| SMILES |
C#CC(=O)C(F)=CC=C
|
| InChIKey |
WIFUIEYXZRMFOM-UHFFFAOYSA-N
|
| MW [Da] |
124.11
Automatically obtained from RDkit software. |
| LogP |
1.23
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 | 0.7699 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 112.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.62 |
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Total active interactions
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MM108922
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| Tanimoto metric | 0.6814 |
|---|---|
| Cosine metric | 0.8255 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.61 |
||||
|---|---|---|---|---|---|
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Total active interactions
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