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DocumentationIdentifier: MM166278
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166278 |
| SMILES |
C#CC(F)CCCC=C
|
| InChIKey |
UFANWAIHJSORJR-UHFFFAOYSA-N
|
| MW [Da] |
126.17
Automatically obtained from RDkit software. |
| LogP |
2.31
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM364279
Similarity: 0.7792
Similarity to MM364279
| Tanimoto metric | 0.7792 |
|---|---|
| Cosine metric | 0.8765 |
| Dice metric | 0.8759 |
| MW: | 140.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM112938
Similarity: 0.7424
Similarity to MM112938
| Tanimoto metric | 0.7424 |
|---|---|
| Cosine metric | 0.8616 |
| Dice metric | 0.8522 |
| MW: | 114.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166321
Similarity: 0.6806
Similarity to MM166321
| Tanimoto metric | 0.6806 |
|---|---|
| Cosine metric | 0.8133 |
| Dice metric | 0.8099 |
| MW: | 124.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+668 more
