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Documentation3-ethoxy-3-oxopropanoic Acid
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM03585 |
| SMILES |
CCOC(=O)CC(=O)O
|
| InChIKey |
HGINADPHJQTSKN-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
0.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
70615
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM342784
Similarity: 0.8556
Similarity to MM342784
| Tanimoto metric | 0.8556 |
|---|---|
| Cosine metric | 0.925 |
| Dice metric | 0.9222 |
| MW: | 146.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM441478
Similarity: 0.7938
Similarity to MM441478
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8851 |
| MW: | 143.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291786
Similarity: 0.7831
Similarity to MM291786
| Tanimoto metric | 0.7831 |
|---|---|
| Cosine metric | 0.8791 |
| Dice metric | 0.8784 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+157 more
