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DocumentationIdentifier: MM396935
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM396935 |
| SMILES |
C=COCC#CC(=O)O
|
| InChIKey |
BAGGTHVINNVNME-UHFFFAOYSA-N
|
| MW [Da] |
126.11
Automatically obtained from RDkit software. |
| LogP |
0.23
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 | 0.8481 |
|---|---|
| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9209 |
| Dice metric | 0.9178 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.62 |
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| AI: | 0
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| Cosine metric | 0.881 |
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| MW: | 114.1 |
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Total passive interactions
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| LogP: | -0.28 |
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+483 more
