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DocumentationIdentifier: MM78047
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM78047 |
| SMILES |
C#CC(NC(C)=N)C(=N)N
|
| InChIKey |
AIGYVXLUXMTOPY-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM180077
Similarity: 0.7133
Similarity to MM180077
| Tanimoto metric | 0.7133 |
|---|---|
| Cosine metric | 0.8446 |
| Dice metric | 0.8327 |
| MW: | 124.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM133740
Similarity: 0.6733
Similarity to MM133740
| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8206 |
| Dice metric | 0.8048 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74902
Similarity: 0.6124
Similarity to MM74902
| Tanimoto metric | 0.6124 |
|---|---|
| Cosine metric | 0.7604 |
| Dice metric | 0.7596 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+33 more
