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DocumentationIdentifier: MM114758
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM114758 |
| SMILES |
CCCC=C(C)C=O
|
| InChIKey |
BRLKFSODKAIVGM-UHFFFAOYSA-N
|
| MW [Da] |
112.17
Automatically obtained from RDkit software. |
| LogP |
1.93
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 | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Total passive interactions
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||||
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| LogP: | 1.11 |
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+1027 more
