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DocumentationIdentifier: MM457978
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM457978 |
| SMILES |
C=CC#CC=CNC=NC
|
| InChIKey |
NXXZDYBLMCGUIB-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
0.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM215449
Similarity: 0.9365
Similarity to MM215449
| Tanimoto metric | 0.9365 |
|---|---|
| Cosine metric | 0.9677 |
| Dice metric | 0.9672 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.77 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90178
Similarity: 0.8413
Similarity to MM90178
| Tanimoto metric | 0.8413 |
|---|---|
| Cosine metric | 0.9172 |
| Dice metric | 0.9138 |
| MW: | 120.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM458013
Similarity: 0.8082
Similarity to MM458013
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.8949 |
| Dice metric | 0.8939 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+215 more
