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Documentation1,1-difluoropropan-2-one
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02174 |
| SMILES |
CC(=O)C(F)F
|
| InChIKey |
XHILZHAQBOLGFD-UHFFFAOYSA-N
|
| MW [Da] |
94.06
Automatically obtained from RDkit software. |
| LogP |
0.84
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
3494771
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM97142
Similarity: 0.75
Similarity to MM97142
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 112.05 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM98549
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| Tanimoto metric | 0.6977 |
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| Cosine metric | 0.8353 |
| Dice metric | 0.8219 |
| MW: | 108.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM23615
Similarity: 0.6667
Similarity to MM23615
| Tanimoto metric | 0.6667 |
|---|---|
| Cosine metric | 0.8165 |
| Dice metric | 0.8 |
| MW: | 76.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+67 more
