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PUBCHEM-ZINC05113544

 MMsINC code: MMs03201790
Type: Neutral
Formula: C4H6F4O
SMILES:   FC(F)(CCO)C(F)F
InChI:   InChI=1/C4H6F4O/c5-3(6)4(7,8)1-2-9/h3,9H,1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.5355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.083 g/mol  logS: -0.82122  SlogP: 2.109  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138904  Sterimol/B1: 2.22152  Sterimol/B2: 2.44987  Sterimol/B3: 2.8531
  Sterimol/B4: 3.44384  Sterimol/L: 9.6268 
 
 Surface and Volume Properties
  Accessible surface: 276.839  Positive charged surface: 129.625  Negative charged surface: 147.214  Volume: 102.625
  Hydrophobic surface: 92.24  Hydrophilic surface: 184.599
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.