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DocumentationIdentifier: MM225338
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM225338 |
| SMILES |
C#CC(=O)C#CC(F)(F)F
|
| InChIKey |
XXPKJMVTZQJOPT-UHFFFAOYSA-N
|
| MW [Da] |
146.07
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM146141
Similarity: 0.8537
Similarity to MM146141
| Tanimoto metric | 0.8537 |
|---|---|
| Cosine metric | 0.9239 |
| Dice metric | 0.9211 |
| MW: | 128.08 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM130543
Similarity: 0.8293
Similarity to MM130543
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 136.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM253043
Similarity: 0.7955
Similarity to MM253043
| Tanimoto metric | 0.7955 |
|---|---|
| Cosine metric | 0.8867 |
| Dice metric | 0.8861 |
| MW: | 142.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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