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DocumentationIdentifier: MM129836
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM129836 |
| SMILES |
CC(C)(F)C(O)C(F)F
|
| InChIKey |
ZPSVHUBJQIJCGQ-UHFFFAOYSA-N
|
| MW [Da] |
142.12
Automatically obtained from RDkit software. |
| LogP |
1.36
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 | 0.822 |
|---|---|
| Cosine metric | 0.9067 |
| Dice metric | 0.9023 |
| MW: | 160.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8495 |
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| MW: | 124.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.06 |
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MM220497
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| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.8445 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+232 more
