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DocumentationIdentifier: MM136546
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM136546 |
| SMILES |
CC=CC(F)=CC(C)F
|
| InChIKey |
LZGXGNBWKTVKEE-UHFFFAOYSA-N
|
| MW [Da] |
132.15
Automatically obtained from RDkit software. |
| LogP |
2.77
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 | 0.82 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9011 |
| MW: | 144.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.94 |
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|---|---|---|---|---|---|
| AI: | 0
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| Cosine metric | 0.8971 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.38 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.72 |
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