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APOLLO-ZINC04266049

 MMsINC code: MMs00057202
Type: Neutral
Formula: C5H6F6O
SMILES:   FC(C(F)(F)OCC)C(F)(F)F
InChI:   InChI=1/C5H6F6O/c1-2-12-5(10,11)3(6)4(7,8)9/h3H,2H2,1H3/t3-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.00045 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.09 g/mol  logS: -2.22637  SlogP: 3.7758  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0943049  Sterimol/B1: 2.50986  Sterimol/B2: 2.73558  Sterimol/B3: 2.8183
  Sterimol/B4: 3.1531  Sterimol/L: 11.059 
 
 Surface and Volume Properties
  Accessible surface: 324.283  Positive charged surface: 129.891  Negative charged surface: 194.392  Volume: 128.25
  Hydrophobic surface: 121.227  Hydrophilic surface: 203.056
 
 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.