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DocumentationIdentifier: MM118896
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM118896 |
| SMILES |
CCC1CC=C(F)C1
|
| InChIKey |
PTDLWROAEBZLCO-UHFFFAOYSA-N
|
| MW [Da] |
114.16
Automatically obtained from RDkit software. |
| LogP |
2.66
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 | 0.8644 |
|---|---|
| Cosine metric | 0.9297 |
| Dice metric | 0.9273 |
| MW: | 126.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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| LogP: | 3.05 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 2.96 |
||||
|---|---|---|---|---|---|
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Total active interactions
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