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DocumentationIdentifier: MM144906
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM144906 |
| SMILES |
CC(=O)OCC(=O)CO
|
| InChIKey |
HZGOSCXYXUNZRW-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
MM319007
Similarity: 0.8041
Similarity to MM319007
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8967 |
| Dice metric | 0.8914 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103475
Similarity: 0.7692
Similarity to MM103475
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113186
Similarity: 0.6923
Similarity to MM113186
| Tanimoto metric | 0.6923 |
|---|---|
| Cosine metric | 0.8321 |
| Dice metric | 0.8182 |
| MW: | 118.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+76 more
