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Documentation3-formyloxyprop-2-enoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03251 |
| SMILES |
O=COC=CC(=O)O
|
| InChIKey |
KTJWRRBVKDHSCE-UHFFFAOYSA-N
|
| MW [Da] |
116.07
Automatically obtained from RDkit software. |
| LogP |
-0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
76705970
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM49590
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| Tanimoto metric | 0.7945 |
|---|---|
| Cosine metric | 0.8914 |
| Dice metric | 0.8855 |
| MW: | 130.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | -0.15 |
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| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7931 |
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| Cosine metric | 0.8906 |
| Dice metric | 0.8846 |
| MW: | 102.09 |
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.23 |
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| AI: | 0
Total active interactions
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| Cosine metric | 0.8679 |
| Dice metric | 0.8593 |
| MW: | 130.1 |
||||
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| PI: | 2
Total passive interactions
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| LogP: | 0.15 |
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Total active interactions
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+115 more
