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DocumentationIdentifier: MM163694
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM163694 |
| SMILES |
CC(O)C(=O)C#CC#N
|
| InChIKey |
JCZHGXJCWIPXLY-UHFFFAOYSA-N
|
| MW [Da] |
123.11
Automatically obtained from RDkit software. |
| LogP |
-0.54
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM90544
Similarity: 0.792
Similarity to MM90544
| Tanimoto metric | 0.792 |
|---|---|
| Cosine metric | 0.8899 |
| Dice metric | 0.8839 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90593
Similarity: 0.7857
Similarity to MM90593
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90543
Similarity: 0.7857
Similarity to MM90543
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 137.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+156 more
