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DocumentationIdentifier: MM369421
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM369421 |
| SMILES |
O=CC=COCC(=O)CO
|
| InChIKey |
HHVUIQMSHBGLSU-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48834
Similarity: 0.8765
Similarity to MM48834
| Tanimoto metric | 0.8765 |
|---|---|
| Cosine metric | 0.9362 |
| Dice metric | 0.9342 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368945
Similarity: 0.8391
Similarity to MM368945
| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.9126 |
| Dice metric | 0.9125 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368947
Similarity: 0.7889
Similarity to MM368947
| Tanimoto metric | 0.7889 |
|---|---|
| Cosine metric | 0.882 |
| Dice metric | 0.882 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+138 more
