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DocumentationIdentifier: MM24713
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM24713 |
| SMILES |
C=C(C=O)CC
|
| InChIKey |
GMLDCZYTIPCVMO-UHFFFAOYSA-N
|
| MW [Da] |
84.12
Automatically obtained from RDkit software. |
| LogP |
1.15
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 | 0.7895 |
|---|---|
| Cosine metric | 0.8885 |
| Dice metric | 0.8824 |
| MW: | 98.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
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| Cosine metric | 0.866 |
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Total passive interactions
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.54 |
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|---|---|---|---|---|---|
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+300 more
