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ACROSORGANICS-ZINC00157896

 MMsINC code: MMs00005775
Type: Neutral
Formula: C7H5F3O
SMILES:   FC(F)(F)c1ccc(O)cc1
InChI:   InChI=1/C7H5F3O/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4,11H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.567 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.11 g/mol  logS: -2.07948  SlogP: 2.7225  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0466827  Sterimol/B1: 2.28559  Sterimol/B2: 2.42384  Sterimol/B3: 2.68282
  Sterimol/B4: 4.82086  Sterimol/L: 9.4305 
 
 Surface and Volume Properties
  Accessible surface: 306.406  Positive charged surface: 116.627  Negative charged surface: 189.779  Volume: 125.75
  Hydrophobic surface: 150.404  Hydrophilic surface: 156.002
 
 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.