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DocumentationIdentifier: MM68594
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM68594 |
| SMILES |
COCC=COCC(C)=O
|
| InChIKey |
YULFOMMJGPDBDW-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM368947
Similarity: 0.8023
Similarity to MM368947
| Tanimoto metric | 0.8023 |
|---|---|
| Cosine metric | 0.8908 |
| Dice metric | 0.8903 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91829
Similarity: 0.75
Similarity to MM91829
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8571 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM91707
Similarity: 0.75
Similarity to MM91707
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8592 |
| Dice metric | 0.8571 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+409 more
