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PUBCHEM-ZINC06036127

 MMsINC code: MMs03505901
Type: Neutral
Formula: C6H8F6O2
SMILES:   FC(F)(F)C(O)(CC(O)C)C(F)(F)F
InChI:   InChI=1/C6H8F6O2/c1-3(13)2-4(14,5(7,8)9)6(10,11)12/h3,13-14H,2H2,1H3/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=46.3164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.116 g/mol  logS: -1.88042  SlogP: 2.4528  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.26384  Sterimol/B1: 2.6831  Sterimol/B2: 3.27374  Sterimol/B3: 3.56468
  Sterimol/B4: 4.04077  Sterimol/L: 9.92394 
 
 Surface and Volume Properties
  Accessible surface: 332.471  Positive charged surface: 124.157  Negative charged surface: 208.313  Volume: 148.5
  Hydrophobic surface: 81.2769  Hydrophilic surface: 251.1941
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.