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DocumentationIdentifier: MM392666
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM392666 |
| SMILES |
C=COCC(C=O)C(C)C
|
| InChIKey |
PADAOHBVTNNBMX-UHFFFAOYSA-N
|
| MW [Da] |
142.2
Automatically obtained from RDkit software. |
| LogP |
1.62
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 | 0.8427 |
|---|---|
| Cosine metric | 0.918 |
| Dice metric | 0.9146 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.1 |
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Total active interactions
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|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.34 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+553 more
