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DocumentationIdentifier: MM133755
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM133755 |
| SMILES |
C=C(F)C(C)OC(C)=O
|
| InChIKey |
SMHLOZYRLBCQGI-UHFFFAOYSA-N
|
| MW [Da] |
132.13
Automatically obtained from RDkit software. |
| LogP |
1.42
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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MM245707
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| Tanimoto metric | 0.8321 |
|---|---|
| Cosine metric | 0.9122 |
| Dice metric | 0.9084 |
| MW: | 150.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7398 |
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| Cosine metric | 0.8523 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 1.07 |
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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: | 0.6 |
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Total active interactions
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+137 more
