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DocumentationIdentifier: MM65462
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM65462 |
| SMILES |
C#CC(=C)NC(=O)C=CN
|
| InChIKey |
SRNKFVCHVSXBHX-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142855
Similarity: 0.808
Similarity to MM142855
| Tanimoto metric | 0.808 |
|---|---|
| Cosine metric | 0.8989 |
| Dice metric | 0.8938 |
| MW: | 121.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264883
Similarity: 0.7007
Similarity to MM264883
| Tanimoto metric | 0.7007 |
|---|---|
| Cosine metric | 0.824 |
| Dice metric | 0.824 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60045
Similarity: 0.6763
Similarity to MM60045
| Tanimoto metric | 0.6763 |
|---|---|
| Cosine metric | 0.809 |
| Dice metric | 0.8069 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+307 more
