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Documentation2-oxoethyl 2-ethoxyacetate
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02649 |
| SMILES |
CCOCC(=O)OCC=O
|
| InChIKey |
KJMUUQWSJXYVQN-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
57000251
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM291938
Similarity: 0.9028
Similarity to MM291938
| Tanimoto metric | 0.9028 |
|---|---|
| Cosine metric | 0.9491 |
| Dice metric | 0.9489 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8571 |
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| Cosine metric | 0.9258 |
| Dice metric | 0.9231 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.59 |
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| AI: | 0
Total active interactions
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MM166687
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Similarity to MM166687
| Tanimoto metric | 0.7917 |
|---|---|
| Cosine metric | 0.887 |
| Dice metric | 0.8837 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+296 more
