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DocumentationIdentifier: MM197222
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM197222 |
| SMILES |
CCC(=O)C(CO)OC
|
| InChIKey |
GGKMXQNVPYUELF-UHFFFAOYSA-N
|
| MW [Da] |
132.16
Automatically obtained from RDkit software. |
| LogP |
-0.03
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM408101
Similarity: 0.7591
Similarity to MM408101
| Tanimoto metric | 0.7591 |
|---|---|
| Cosine metric | 0.8713 |
| Dice metric | 0.8631 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408106
Similarity: 0.7536
Similarity to MM408106
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8681 |
| Dice metric | 0.8595 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38654
Similarity: 0.7404
Similarity to MM38654
| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8605 |
| Dice metric | 0.8508 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+411 more
