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DocumentationIdentifier: MM173285
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM173285 |
| SMILES |
CCOC(=O)C(C)C=O
|
| InChIKey |
VVCYNVCCODBCOE-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.38
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 | 0.9121 |
|---|---|
| Cosine metric | 0.955 |
| Dice metric | 0.954 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | -0.64 |
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Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.77 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+496 more
