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ALFAAESAR-ZINC04265118

 MMsINC code: MMs00024652
Type: Neutral
Formula: C7H4F4O
SMILES:   Fc1cc(cc(O)c1)C(F)(F)F
InChI:   InChI=1/C7H4F4O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.5698 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: 0.0523863  Sterimol/B1: 2.37469  Sterimol/B2: 2.5182  Sterimol/B3: 2.66328
  Sterimol/B4: 5.44222  Sterimol/L: 8.877 
 
 Surface and Volume Properties
  Accessible surface: 312.22  Positive charged surface: 105.372  Negative charged surface: 206.849  Volume: 129
  Hydrophobic surface: 157.742  Hydrophilic surface: 154.478
 
 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.