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DocumentationIdentifier: MM378678
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM378678 |
| SMILES |
C=CC(NC=O)C(=C)C#N
|
| InChIKey |
LNFWISNSZYDGJX-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
0.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172782
Similarity: 0.7852
Similarity to MM172782
| Tanimoto metric | 0.7852 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8797 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94788
Similarity: 0.6163
Similarity to MM94788
| Tanimoto metric | 0.6163 |
|---|---|
| Cosine metric | 0.7629 |
| Dice metric | 0.7626 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM349754
Similarity: 0.6057
Similarity to MM349754
| Tanimoto metric | 0.6057 |
|---|---|
| Cosine metric | 0.755 |
| Dice metric | 0.7544 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+42 more
