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DocumentationIdentifier: MM368945
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM368945 |
| SMILES |
CCC=COCC(=O)CO
|
| InChIKey |
QPHFBCNJNMRMLO-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.49
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: 0.8987
Similarity to MM48834
| Tanimoto metric | 0.8987 |
|---|---|
| Cosine metric | 0.948 |
| Dice metric | 0.9467 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369421
Similarity: 0.8391
Similarity to MM369421
| Tanimoto metric | 0.8391 |
|---|---|
| Cosine metric | 0.9126 |
| Dice metric | 0.9125 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM368947
Similarity: 0.8068
Similarity to MM368947
| Tanimoto metric | 0.8068 |
|---|---|
| Cosine metric | 0.8931 |
| Dice metric | 0.8931 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
