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DocumentationIdentifier: MM146780
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM146780 |
| SMILES |
C#CC(F)=CC=C(F)F
|
| InChIKey |
SQVKWBMJCLIJNH-UHFFFAOYSA-N
|
| MW [Da] |
132.08
Automatically obtained from RDkit software. |
| LogP |
2.25
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM114904
Similarity: 0.7857
Similarity to MM114904
| Tanimoto metric | 0.7857 |
|---|---|
| Cosine metric | 0.8864 |
| Dice metric | 0.88 |
| MW: | 114.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM103665
Similarity: 0.6714
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| Tanimoto metric | 0.6714 |
|---|---|
| Cosine metric | 0.8194 |
| Dice metric | 0.8034 |
| MW: | 122.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.64 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM98384
Similarity: 0.6571
Similarity to MM98384
| Tanimoto metric | 0.6571 |
|---|---|
| Cosine metric | 0.8106 |
| Dice metric | 0.7931 |
| MW: | 96.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
