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DocumentationIdentifier: MM353531
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM353531 |
| SMILES |
CC(=CF)C(=O)C(C)CF
|
| InChIKey |
JCAJGJGMKJWZQR-UHFFFAOYSA-N
|
| MW [Da] |
148.15
Automatically obtained from RDkit software. |
| LogP |
2.03
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 | 0.7361 |
|---|---|
| Cosine metric | 0.858 |
| Dice metric | 0.848 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.79 |
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Total active interactions
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|---|---|
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.08 |
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|---|---|---|---|---|---|
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