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DocumentationIdentifier: MM244354
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM244354 |
| SMILES |
CC(C)C(C)(CF)C(=O)O
|
| InChIKey |
AIIDUZRQVQTGND-UHFFFAOYSA-N
|
| MW [Da] |
148.18
Automatically obtained from RDkit software. |
| LogP |
1.7
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 | 0.8 |
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| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.46 |
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| LogP: | 1.41 |
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| Tanimoto metric | 0.6579 |
|---|---|
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.7 |
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+129 more
