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DocumentationIdentifier: MM104161
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM104161 |
| SMILES |
CCC(F)CC(C)F
|
| InChIKey |
NCXYOFNHMVPNBK-UHFFFAOYSA-N
|
| MW [Da] |
122.16
Automatically obtained from RDkit software. |
| LogP |
2.48
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 | 0.913 |
|---|---|
| Cosine metric | 0.9555 |
| Dice metric | 0.9545 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.87 |
||||
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| AI: | 0
Total active interactions
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| PI: | 3
Total passive interactions
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| Tanimoto metric | 0.7925 |
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| Cosine metric | 0.8902 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 3.26 |
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