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CHEMBRIDGE-ZINC00439874

 MMsINC code: MMs00615761
Type: Neutral
Formula: C14H12ClFN2O2
SMILES:   Clc1cc(NC(=O)Nc2ccc(OC)cc2)ccc1F
InChI:   InChI=1/C14H12ClFN2O2/c1-20-11-5-2-9(3-6-11)17-14(19)18-10-4-7-13(16)12(15)8-10/h2-8H,1H3,(H2,17,18,19)

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Potential Energy
Epot(MMFF94)=65.5942 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.713 g/mol  logS: -4.3317  SlogP: 4.1317  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0281895  Sterimol/B1: 3.12633  Sterimol/B2: 3.28255  Sterimol/B3: 4.24777
  Sterimol/B4: 4.58695  Sterimol/L: 16.8753 
 
 Surface and Volume Properties
  Accessible surface: 514.276  Positive charged surface: 284.545  Negative charged surface: 229.731  Volume: 255.25
  Hydrophobic surface: 442.46  Hydrophilic surface: 71.816
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.