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DocumentationIdentifier: MM16429
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM16429 |
| SMILES |
CC(C)(OCC=O)C(=O)O
|
| InChIKey |
DDAPVOCRVQKQJY-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM286530
Similarity: 0.8899
Similarity to MM286530
| Tanimoto metric | 0.8899 |
|---|---|
| Cosine metric | 0.9433 |
| Dice metric | 0.9417 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM59329
Similarity: 0.8487
Similarity to MM59329
| Tanimoto metric | 0.8487 |
|---|---|
| Cosine metric | 0.9182 |
| Dice metric | 0.9182 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269472
Similarity: 0.8305
Similarity to MM269472
| Tanimoto metric | 0.8305 |
|---|---|
| Cosine metric | 0.9074 |
| Dice metric | 0.9074 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+94 more
