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APOLLO-ZINC02572311

 MMsINC code: MMs00054723
Type: Neutral
Formula: C6H5F7O2
SMILES:   FC(F)(C(F)(F)C(F)(F)F)COC(=O)C
InChI:   InChI=1/C6H5F7O2/c1-3(14)15-2-4(7,8)5(9,10)6(11,12)13/h2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.9474 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.09 g/mol  logS: -2.49574  SlogP: 3.6421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0990723  Sterimol/B1: 2.57565  Sterimol/B2: 3.14769  Sterimol/B3: 3.37209
  Sterimol/B4: 4.39241  Sterimol/L: 11.3141 
 
 Surface and Volume Properties
  Accessible surface: 357.518  Positive charged surface: 115.148  Negative charged surface: 242.37  Volume: 149.625
  Hydrophobic surface: 121.332  Hydrophilic surface: 236.186
 
 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.