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DocumentationIdentifier: MM70093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM70093 |
| SMILES |
C#CC(C(=N)N)N(C)C=N
|
| InChIKey |
YKXJFNYOEANLNB-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
-0.54
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: 0.7039
Similarity to MM180077
| Tanimoto metric | 0.7039 |
|---|---|
| Cosine metric | 0.839 |
| Dice metric | 0.8263 |
| MW: | 124.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM160273
Similarity: 0.6776
Similarity to MM160273
| Tanimoto metric | 0.6776 |
|---|---|
| Cosine metric | 0.8232 |
| Dice metric | 0.8078 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM74902
Similarity: 0.5967
Similarity to MM74902
| Tanimoto metric | 0.5967 |
|---|---|
| Cosine metric | 0.7484 |
| Dice metric | 0.7474 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+19 more
