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Documentation1,1-difluorobut-3-yn-2-one
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02288 |
| SMILES |
C#CC(=O)C(F)F
|
| InChIKey |
SQKNRTAXICODBF-UHFFFAOYSA-N
|
| MW [Da] |
104.06
Automatically obtained from RDkit software. |
| LogP |
0.45
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
112574206
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.7705 |
|---|---|
| Cosine metric | 0.8778 |
| Dice metric | 0.8704 |
| MW: | 122.05 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.75 |
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|---|---|---|---|---|---|
| AI: | 0
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|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.84 |
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| AI: | 0
Total active interactions
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1,1-difluoropropan-2-one
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| Tanimoto metric | 0.6383 |
|---|---|
| Cosine metric | 0.7989 |
| Dice metric | 0.7792 |
| MW: | 94.06 |
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+160 more
