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DocumentationIdentifier: MM336750
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM336750 |
| SMILES |
CCNC(=O)C=CC(=O)O
|
| InChIKey |
HBQGCOWNLUOCBU-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.24
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 | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
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Total passive interactions
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| LogP: | -0.11 |
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Total active interactions
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| Cosine metric | 0.7845 |
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Total passive interactions
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| LogP: | -0.89 |
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+192 more
