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DocumentationIdentifier: MM50901
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50901 |
| SMILES |
CC#CC(=O)C(O)C#N
|
| InChIKey |
ZNEINHUHFCEBFQ-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
MM358974
Similarity: 0.877
Similarity to MM358974
| Tanimoto metric | 0.877 |
|---|---|
| Cosine metric | 0.9365 |
| Dice metric | 0.9345 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90542
Similarity: 0.8699
Similarity to MM90542
| Tanimoto metric | 0.8699 |
|---|---|
| Cosine metric | 0.9327 |
| Dice metric | 0.9304 |
| MW: | 137.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90544
Similarity: 0.856
Similarity to MM90544
| Tanimoto metric | 0.856 |
|---|---|
| Cosine metric | 0.9252 |
| Dice metric | 0.9224 |
| MW: | 134.09 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+178 more
