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APOLLO-ZINC02560130

 MMsINC code: MMs00053757
Type: Neutral
Formula: C8H8F2O2
SMILES:   FC(F)Oc1cc(ccc1)CO
InChI:   InChI=1/C8H8F2O2/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8,11H,5H2

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.8754 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.146 g/mol  logS: -1.29015  SlogP: 2.4666  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0496238  Sterimol/B1: 2.54363  Sterimol/B2: 2.54644  Sterimol/B3: 2.7776
  Sterimol/B4: 5.25701  Sterimol/L: 11.078 
 
 Surface and Volume Properties
  Accessible surface: 343.377  Positive charged surface: 191.299  Negative charged surface: 152.077  Volume: 147.625
  Hydrophobic surface: 191.472  Hydrophilic surface: 151.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.