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PUBCHEM-ZINC05112826

 MMsINC code: MMs03201242
Type: Neutral
Formula: C3H2F6O
SMILES:   FC(F)(OC(F)F)C(F)F
InChI:   InChI=1/C3H2F6O/c4-1(5)3(8,9)10-2(6)7/h1-2H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.1238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.036 g/mol  logS: -1.10446  SlogP: 3.3432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179961  Sterimol/B1: 2.56791  Sterimol/B2: 2.81102  Sterimol/B3: 3.26785
  Sterimol/B4: 3.28154  Sterimol/L: 8.33252 
 
 Surface and Volume Properties
  Accessible surface: 264.975  Positive charged surface: 72.922  Negative charged surface: 192.053  Volume: 92.125
  Hydrophobic surface: 43.8085  Hydrophilic surface: 221.1665
 
 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.