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DocumentationIdentifier: MM132116
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM132116 |
| SMILES |
CCOC(=O)C(F)(F)F
|
| InChIKey |
STSCVKRWJPWALQ-UHFFFAOYSA-N
|
| MW [Da] |
142.08
Automatically obtained from RDkit software. |
| LogP |
1.11
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 | 0.8163 |
|---|---|
| Cosine metric | 0.9035 |
| Dice metric | 0.8989 |
| MW: | 156.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8944 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.81 |
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| Tanimoto metric | 0.6531 |
|---|---|
| Cosine metric | 0.7902 |
| Dice metric | 0.7901 |
| MW: | 138.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+129 more
