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DocumentationIdentifier: MM161596
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161596 |
| SMILES |
C=C(CC)C(C)=C(F)F
|
| InChIKey |
FXECKDSKTHNVJX-UHFFFAOYSA-N
|
| MW [Da] |
132.15
Automatically obtained from RDkit software. |
| LogP |
3.12
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 | 0.7565 |
|---|---|
| Cosine metric | 0.8698 |
| Dice metric | 0.8614 |
| MW: | 147.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.83 |
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| Tanimoto metric | 0.7126 |
|---|---|
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.73 |
||||
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+455 more
