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DocumentationIdentifier: MM372031
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM372031 |
| SMILES |
C#CC(F)=CC#CC=CC
|
| InChIKey |
BXKASJKDVAQMFL-UHFFFAOYSA-N
|
| MW [Da] |
134.15
Automatically obtained from RDkit software. |
| LogP |
2.05
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171713
Similarity: 0.9403
Similarity to MM171713
| Tanimoto metric | 0.9403 |
|---|---|
| Cosine metric | 0.9697 |
| Dice metric | 0.9692 |
| MW: | 120.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM290665
Similarity: 0.8657
Similarity to MM290665
| Tanimoto metric | 0.8657 |
|---|---|
| Cosine metric | 0.9304 |
| Dice metric | 0.928 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM292563
Similarity: 0.84
Similarity to MM292563
| Tanimoto metric | 0.84 |
|---|---|
| Cosine metric | 0.9134 |
| Dice metric | 0.913 |
| MW: | 134.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+405 more
