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Documentation1,3-difluoropropan-2-one
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02178 |
| SMILES |
O=C(CF)CF
|
| InChIKey |
HKIPCXRNASWFRU-UHFFFAOYSA-N
|
| MW [Da] |
94.06
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
228397
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 76.07 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.54 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.7454 |
| Dice metric | 0.7407 |
| MW: | 94.06 |
||||
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| PI: | 3
Total passive interactions
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Total passive interactions
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| LogP: | 0.94 |
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+50 more
