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DocumentationIdentifier: MM179754
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM179754 |
| SMILES |
CC(O)C(C=O)OC=O
|
| InChIKey |
GUTNMKMSRWCSTL-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
MM376554
Similarity: 0.7424
Similarity to MM376554
| Tanimoto metric | 0.7424 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8522 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM232047
Similarity: 0.7313
Similarity to MM232047
| Tanimoto metric | 0.7313 |
|---|---|
| Cosine metric | 0.8552 |
| Dice metric | 0.8448 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15750
Similarity: 0.6531
Similarity to MM15750
| Tanimoto metric | 0.6531 |
|---|---|
| Cosine metric | 0.8081 |
| Dice metric | 0.7901 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+135 more
