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DocumentationIdentifier: MM133816
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133816 |
| SMILES |
C=C(CC(C)O)C(F)F
|
| InChIKey |
QPFHQWOSVOTHSY-UHFFFAOYSA-N
|
| MW [Da] |
136.14
Automatically obtained from RDkit software. |
| LogP |
1.58
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 | 0.7931 |
|---|---|
| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 152.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.28 |
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|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.08 |
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+560 more
