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MAYBRIDGE-ZINC05177786

 MMsINC code: MMs02175490
Type: Neutral
Formula: C6H5F3O2
SMILES:   FC(F)(F)c1oc(cc1)CO
InChI:   InChI=1/C6H5F3O2/c7-6(8,9)5-2-1-4(3-10)11-5/h1-2,10H,3H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.6329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.098 g/mol  logS: -2.11694  SlogP: 2.3686  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0712819  Sterimol/B1: 2.39003  Sterimol/B2: 2.72151  Sterimol/B3: 2.77144
  Sterimol/B4: 4.76375  Sterimol/L: 10.1296 
 
 Surface and Volume Properties
  Accessible surface: 317.035  Positive charged surface: 129.411  Negative charged surface: 187.624  Volume: 121.375
  Hydrophobic surface: 129.856  Hydrophilic surface: 187.179
 
 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.