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DocumentationIdentifier: MM149754
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM149754 |
| SMILES |
O=CC(CF)CC(F)F
|
| InChIKey |
GJWXGKYHRYPSGE-UHFFFAOYSA-N
|
| MW [Da] |
140.1
Automatically obtained from RDkit software. |
| LogP |
1.43
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 | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 158.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 1
Total passive interactions
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| LogP: | 1.13 |
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Total active interactions
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.81 |
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+354 more
