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APOLLO-ZINC04266040

 MMsINC code: MMs00057201
Type: Neutral
Formula: C4H2Cl2F6O
SMILES:   ClC(Cl)OC(F)(F)C(F)C(F)(F)F
InChI:   InChI=1/C4H2Cl2F6O/c5-2(6)13-4(11,12)1(7)3(8,9)10/h1-2H/t1-/m0/s1

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Potential Energy
Epot(MMFF94)=10.3276 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.953 g/mol  logS: -2.86621  SlogP: 4.937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16842  Sterimol/B1: 2.56551  Sterimol/B2: 2.85992  Sterimol/B3: 4.13166
  Sterimol/B4: 4.15977  Sterimol/L: 9.83047 
 
 Surface and Volume Properties
  Accessible surface: 330.352  Positive charged surface: 53.1255  Negative charged surface: 277.227  Volume: 139.375
  Hydrophobic surface: 39.8395  Hydrophilic surface: 290.5125
 
 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.