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DocumentationIdentifier: MM161270
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM161270 |
| SMILES |
C=C(C(C)=O)C(=O)CC
|
| InChIKey |
ZVKQBEWDEHCMDL-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
1.11
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 | 0.8113 |
|---|---|
| Cosine metric | 0.9007 |
| Dice metric | 0.8958 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| PI: | 3
Total passive interactions
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| LogP: | 0.72 |
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Total passive interactions
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| LogP: | 1.28 |
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|---|---|---|---|---|---|
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Total active interactions
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+54 more
