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DocumentationIdentifier: MM232047
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM232047 |
| SMILES |
CC(C)(O)C(C=O)OC=O
|
| InChIKey |
BQFFGPGDGGYTBA-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179754
Similarity: 0.7313
Similarity to MM179754
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.8552 |
| Dice metric | 0.8448 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132053
Similarity: 0.6567
Similarity to MM132053
| Tanimoto metric | 0.6567 |
|---|---|
| Cosine metric | 0.8104 |
| Dice metric | 0.7928 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179752
Similarity: 0.6194
Similarity to MM179752
| Tanimoto metric | 0.6194 |
|---|---|
| Cosine metric | 0.787 |
| Dice metric | 0.765 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+45 more
