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DocumentationIdentifier: MM112799
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM112799 |
| SMILES |
C=CC(F)COCC
|
| InChIKey |
WXUSTCPNEUVGMD-UHFFFAOYSA-N
|
| MW [Da] |
118.15
Automatically obtained from RDkit software. |
| LogP |
1.55
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM165985
Similarity: 0.8939
Similarity to MM165985
| Tanimoto metric | 0.8939 |
|---|---|
| Cosine metric | 0.9455 |
| Dice metric | 0.944 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM165988
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| Tanimoto metric | 0.8806 |
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| Cosine metric | 0.9384 |
| Dice metric | 0.9365 |
| MW: | 136.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM166139
Similarity: 0.8429
Similarity to MM166139
| Tanimoto metric | 0.8429 |
|---|---|
| Cosine metric | 0.9181 |
| Dice metric | 0.9147 |
| MW: | 130.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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