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DocumentationIdentifier: MM02971
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02971 |
| SMILES |
CC(F)C(C=O)C=O
|
| InChIKey |
QAVUHRIKCNMYFD-UHFFFAOYSA-N
|
| MW [Da] |
118.11
Automatically obtained from RDkit software. |
| LogP |
0.36
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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MM26985
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| Tanimoto metric | 0.8113 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.8958 |
| MW: | 104.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM111570
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| Tanimoto metric | 0.6324 |
|---|---|
| Cosine metric | 0.7756 |
| Dice metric | 0.7748 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.57 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM102577
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Similarity to MM102577
| Tanimoto metric | 0.6232 |
|---|---|
| Cosine metric | 0.769 |
| Dice metric | 0.7679 |
| MW: | 118.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+150 more
