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DocumentationIdentifier: MM25889
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM25889 |
| SMILES |
O=COCC(=O)O
|
| InChIKey |
QPSGXYRAHOXLLI-UHFFFAOYSA-N
|
| MW [Da] |
104.06
Automatically obtained from RDkit software. |
| LogP |
-0.76
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM36410
Similarity: 0.7692
Similarity to MM36410
| Tanimoto metric | 0.7692 |
|---|---|
| Cosine metric | 0.8771 |
| Dice metric | 0.8696 |
| MW: | 118.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM336955
Similarity: 0.6897
Similarity to MM336955
| Tanimoto metric | 0.6897 |
|---|---|
| Cosine metric | 0.8305 |
| Dice metric | 0.8163 |
| MW: | 118.09 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM398383
Similarity: 0.5556
Similarity to MM398383
| Tanimoto metric | 0.5556 |
|---|---|
| Cosine metric | 0.7454 |
| Dice metric | 0.7143 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+13 more
