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DocumentationIdentifier: MM387786
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM387786 |
| SMILES |
C#CC(CNC=N)NC=N
|
| InChIKey |
PMEQCJLXFKCXEE-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.62
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199112
Similarity: 0.8696
Similarity to MM199112
| Tanimoto metric | 0.8696 |
|---|---|
| Cosine metric | 0.9325 |
| Dice metric | 0.9302 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM388377
Similarity: 0.7455
Similarity to MM388377
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8549 |
| Dice metric | 0.8542 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM405112
Similarity: 0.7407
Similarity to MM405112
| Tanimoto metric | 0.7407 |
|---|---|
| Cosine metric | 0.8513 |
| Dice metric | 0.8511 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+291 more
