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DocumentationIdentifier: MM103292
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM103292 |
| SMILES |
O=CC(F)(F)C(F)F
|
| InChIKey |
NPALSCWRCKJVLK-UHFFFAOYSA-N
|
| MW [Da] |
130.04
Automatically obtained from RDkit software. |
| LogP |
1.09
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 | 0.7662 |
|---|---|
| Cosine metric | 0.8753 |
| Dice metric | 0.8676 |
| MW: | 148.03 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7288 |
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| Cosine metric | 0.8537 |
| Dice metric | 0.8431 |
| MW: | 112.05 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.79 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|
| Cosine metric | 0.7965 |
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| MW: | 158.05 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+65 more
