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DocumentationIdentifier: MM420955
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM420955 |
| SMILES |
N#CC=COC(C#N)=CF
|
| InChIKey |
GUACIUZXPSNUBV-UHFFFAOYSA-N
|
| MW [Da] |
138.1
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM200426
Similarity: 0.8878
Similarity to MM200426
| Tanimoto metric | 0.8878 |
|---|---|
| Cosine metric | 0.9422 |
| Dice metric | 0.9405 |
| MW: | 127.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420435
Similarity: 0.7788
Similarity to MM420435
| Tanimoto metric | 0.7788 |
|---|---|
| Cosine metric | 0.8759 |
| Dice metric | 0.8756 |
| MW: | 141.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM420929
Similarity: 0.7768
Similarity to MM420929
| Tanimoto metric | 0.7768 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8744 |
| MW: | 139.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+225 more
