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APOLLO-ZINC02539797

 MMsINC code: MMs00053063
Type: Neutral
Formula: C4H6F2O2
SMILES:   FC(F)COC(=O)C
InChI:   InChI=1/C4H6F2O2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=12.507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.086 g/mol  logS: -0.53418  SlogP: 1.2345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0882042  Sterimol/B1: 2.32373  Sterimol/B2: 2.63742  Sterimol/B3: 2.63872
  Sterimol/B4: 3.71746  Sterimol/L: 9.6118 
 
 Surface and Volume Properties
  Accessible surface: 281.12  Positive charged surface: 149.494  Negative charged surface: 131.625  Volume: 99.25
  Hydrophobic surface: 152.809  Hydrophilic surface: 128.311
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.