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DocumentationIdentifier: MM82930
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM82930 |
| SMILES |
C#CC(=CCC#N)NC=N
|
| InChIKey |
DMQDKGAJONFXPI-UHFFFAOYSA-N
|
| MW [Da] |
133.15
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179347
Similarity: 0.8051
Similarity to MM179347
| Tanimoto metric | 0.8051 |
|---|---|
| Cosine metric | 0.8973 |
| Dice metric | 0.892 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386651
Similarity: 0.7037
Similarity to MM386651
| Tanimoto metric | 0.7037 |
|---|---|
| Cosine metric | 0.8264 |
| Dice metric | 0.8261 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386587
Similarity: 0.6884
Similarity to MM386587
| Tanimoto metric | 0.6884 |
|---|---|
| Cosine metric | 0.8155 |
| Dice metric | 0.8155 |
| MW: | 137.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+177 more
