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DocumentationIdentifier: MM366009
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM366009 |
| SMILES |
C#CC=CC=CN(C)C=N
|
| InChIKey |
SVXJNCBPINXFRT-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
1.23
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM170138
Similarity: 0.8182
Similarity to MM170138
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 124.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365807
Similarity: 0.7079
Similarity to MM365807
| Tanimoto metric | 0.7079 |
|---|---|
| Cosine metric | 0.829 |
| Dice metric | 0.8289 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.55 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM365809
Similarity: 0.7
Similarity to MM365809
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8235 |
| Dice metric | 0.8235 |
| MW: | 140.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+159 more
