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DocumentationIdentifier: MM269773
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269773 |
| SMILES |
C=C(C#N)C(=O)CC(=N)N
|
| InChIKey |
IECREKRUTUSPRA-UHFFFAOYSA-N
|
| MW [Da] |
137.14
Automatically obtained from RDkit software. |
| LogP |
-0.04
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM269772
Similarity: 0.6064
Similarity to MM269772
| Tanimoto metric | 0.6064 |
|---|---|
| Cosine metric | 0.7552 |
| Dice metric | 0.755 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM87670
Similarity: 0.6
Similarity to MM87670
| Tanimoto metric | 0.6 |
|---|---|
| Cosine metric | 0.7501 |
| Dice metric | 0.75 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM269928
Similarity: 0.5816
Similarity to MM269928
| Tanimoto metric | 0.5816 |
|---|---|
| Cosine metric | 0.7355 |
| Dice metric | 0.7355 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+79 more
