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DocumentationIdentifier: MM395772
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM395772 |
| SMILES |
C=CN(C=CC#N)C(C)=O
|
| InChIKey |
PCHHBMKSOQBNFE-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM48248
Similarity: 0.8036
Similarity to MM48248
| Tanimoto metric | 0.8036 |
|---|---|
| Cosine metric | 0.8964 |
| Dice metric | 0.8911 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.5 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM305979
Similarity: 0.75
Similarity to MM305979
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8618 |
| Dice metric | 0.8571 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.9 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM395545
Similarity: 0.6818
Similarity to MM395545
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8108 |
| Dice metric | 0.8108 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
