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DocumentationIdentifier: MM130139
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM130139 |
| SMILES |
CCC(=O)CC(C)(F)F
|
| InChIKey |
QTYINGFTLXNXLW-UHFFFAOYSA-N
|
| MW [Da] |
136.14
Automatically obtained from RDkit software. |
| LogP |
2.01
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 | 0.883 |
|---|---|
| Cosine metric | 0.9397 |
| Dice metric | 0.9379 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| LogP: | 2.26 |
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+224 more
