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DocumentationIdentifier: MM80123
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80123 |
| SMILES |
CNC(=O)CC(C#N)C#N
|
| InChIKey |
JUSMKRRVWMOLDN-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM23733
Similarity: 0.7647
Similarity to MM23733
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8677 |
| Dice metric | 0.8667 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262689
Similarity: 0.7627
Similarity to MM262689
| Tanimoto metric | 0.7627 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8654 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM57952
Similarity: 0.75
Similarity to MM57952
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8581 |
| Dice metric | 0.8571 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+63 more
