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ALFAAESAR-ZINC02600086

 MMsINC code: MMs00024238
Type: Neutral
Formula: C8H6F4O
SMILES:   Fc1cc(cc(c1)C(F)(F)F)CO
InChI:   InChI=1/C8H6F4O/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3,13H,4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.5601 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.127 g/mol  logS: -2.50743  SlogP: 2.9147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676037  Sterimol/B1: 2.63309  Sterimol/B2: 2.90951  Sterimol/B3: 3.08681
  Sterimol/B4: 5.57683  Sterimol/L: 10.1888 
 
 Surface and Volume Properties
  Accessible surface: 343.087  Positive charged surface: 136.66  Negative charged surface: 206.427  Volume: 145.25
  Hydrophobic surface: 175.568  Hydrophilic surface: 167.519
 
 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.