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DocumentationIdentifier: MM340577
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM340577 |
| SMILES |
CC(=O)OCC(CO)CO
|
| InChIKey |
DIIKCHYOJHXRNE-UHFFFAOYSA-N
|
| MW [Da] |
148.16
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
MM228023
Similarity: 0.8046
Similarity to MM228023
| Tanimoto metric | 0.8046 |
|---|---|
| Cosine metric | 0.8932 |
| Dice metric | 0.8917 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316697
Similarity: 0.7778
Similarity to MM316697
| Tanimoto metric | 0.7778 |
|---|---|
| Cosine metric | 0.8775 |
| Dice metric | 0.875 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316699
Similarity: 0.7609
Similarity to MM316699
| Tanimoto metric | 0.7609 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.8642 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+461 more
