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PUBCHEM-ZINC05997792

 MMsINC code: MMs03481816
Type: Neutral
Formula: C5H6F6O
SMILES:   FC(F)(C(F)C(F)(F)F)COC
InChI:   InChI=1/C5H6F6O/c1-12-2-4(7,8)3(6)5(9,10)11/h3H,2H2,1H3/t3-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.7612 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.09 g/mol  logS: -1.8432  SlogP: 3.4282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118581  Sterimol/B1: 2.54344  Sterimol/B2: 2.98374  Sterimol/B3: 2.99332
  Sterimol/B4: 3.97064  Sterimol/L: 9.82188 
 
 Surface and Volume Properties
  Accessible surface: 317.862  Positive charged surface: 148.239  Negative charged surface: 169.623  Volume: 127.875
  Hydrophobic surface: 142.135  Hydrophilic surface: 175.727
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.