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DocumentationIdentifier: MM179890
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179890 |
| SMILES |
CC(=O)C(CO)OC=O
|
| InChIKey |
XJQAXEZOYRSUEV-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.89
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377645
Similarity: 0.7574
Similarity to MM377645
| Tanimoto metric | 0.7574 |
|---|---|
| Cosine metric | 0.8703 |
| Dice metric | 0.8619 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34473
Similarity: 0.6893
Similarity to MM34473
| Tanimoto metric | 0.6893 |
|---|---|
| Cosine metric | 0.8303 |
| Dice metric | 0.8161 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172576
Similarity: 0.6311
Similarity to MM172576
| Tanimoto metric | 0.6311 |
|---|---|
| Cosine metric | 0.7743 |
| Dice metric | 0.7739 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+86 more
