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DocumentationIdentifier: MM152856
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM152856 |
| SMILES |
CC(=O)OCOCC=O
|
| InChIKey |
DHUITQYZZYDUEQ-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM33392
Similarity: 0.807
Similarity to MM33392
| Tanimoto metric | 0.807 |
|---|---|
| Cosine metric | 0.8983 |
| Dice metric | 0.8932 |
| MW: | 118.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365347
Similarity: 0.76
Similarity to MM365347
| Tanimoto metric | 0.76 |
|---|---|
| Cosine metric | 0.8718 |
| Dice metric | 0.8636 |
| MW: | 148.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM125720
Similarity: 0.7544
Similarity to MM125720
| Tanimoto metric | 0.7544 |
|---|---|
| Cosine metric | 0.8686 |
| Dice metric | 0.86 |
| MW: | 118.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+186 more
