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DocumentationIdentifier: MM64776
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM64776 |
| SMILES |
C#CC(CCF)NC=NC
|
| InChIKey |
LJTPJPFRKVMMSS-UHFFFAOYSA-N
|
| MW [Da] |
142.18
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM178085
Similarity: 0.8257
Similarity to MM178085
| Tanimoto metric | 0.8257 |
|---|---|
| Cosine metric | 0.9087 |
| Dice metric | 0.9045 |
| MW: | 128.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM156718
Similarity: 0.6789
Similarity to MM156718
| Tanimoto metric | 0.6789 |
|---|---|
| Cosine metric | 0.824 |
| Dice metric | 0.8087 |
| MW: | 132.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406766
Similarity: 0.6777
Similarity to MM406766
| Tanimoto metric | 0.6777 |
|---|---|
| Cosine metric | 0.8101 |
| Dice metric | 0.8079 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+198 more
