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DocumentationIdentifier: MM349425
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349425 |
| SMILES |
CC(OCC=O)C(=O)CO
|
| InChIKey |
GOODMDXXTUTXSJ-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM50087
Similarity: 0.8762
Similarity to MM50087
| Tanimoto metric | 0.8762 |
|---|---|
| Cosine metric | 0.9361 |
| Dice metric | 0.934 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348996
Similarity: 0.7323
Similarity to MM348996
| Tanimoto metric | 0.7323 |
|---|---|
| Cosine metric | 0.8463 |
| Dice metric | 0.8455 |
| MW: | 150.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349427
Similarity: 0.7244
Similarity to MM349427
| Tanimoto metric | 0.7244 |
|---|---|
| Cosine metric | 0.8409 |
| Dice metric | 0.8402 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+214 more
