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APOLLO-ZINC02560195

 MMsINC code: MMs00053813
Type: Neutral
Formula: C7H4F4O
SMILES:   Fc1cc(O)ccc1C(F)(F)F
InChI:   InChI=1/C7H4F4O/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3,12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.2164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.1 g/mol  logS: -2.37446  SlogP: 2.8616  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464576  Sterimol/B1: 2.43943  Sterimol/B2: 2.44296  Sterimol/B3: 2.8305
  Sterimol/B4: 5.04057  Sterimol/L: 9.43074 
 
 Surface and Volume Properties
  Accessible surface: 308.724  Positive charged surface: 108.653  Negative charged surface: 200.071  Volume: 129.25
  Hydrophobic surface: 156.656  Hydrophilic surface: 152.068
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.