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CHEMBRIDGE-ZINC01200003

 MMsINC code: MMs00686337
Type: Neutral
Formula: C15H9ClFNO2
SMILES:   Clc1cc(-c2onc(c2)-c2ccc(F)cc2)c(O)cc1
InChI:   InChI=1/C15H9ClFNO2/c16-10-3-6-14(19)12(7-10)15-8-13(18-20-15)9-1-4-11(17)5-2-9/h1-8,19H

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Potential Energy
Epot(MMFF94)=68.9189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.693 g/mol  logS: -5.48891  SlogP: 4.5067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.026874  Sterimol/B1: 2.71058  Sterimol/B2: 3.11044  Sterimol/B3: 3.22445
  Sterimol/B4: 6.10624  Sterimol/L: 15.7303 
 
 Surface and Volume Properties
  Accessible surface: 487.27  Positive charged surface: 206.785  Negative charged surface: 280.485  Volume: 248.5
  Hydrophobic surface: 416.321  Hydrophilic surface: 70.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.