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DocumentationProp-2-enyl 3-oxopropanoate
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02850 |
| SMILES |
C=CCOC(=O)CC=O
|
| InChIKey |
FIEBLNZZFUABRG-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
21353584
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7922 |
|---|---|
| Cosine metric | 0.8901 |
| Dice metric | 0.8841 |
| MW: | 114.14 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 1.13 |
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| AI: | 0
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Total passive interactions
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MM15977
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| LogP: | 0.69 |
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+178 more
