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CHEMBRIDGE-ZINC04550048

 MMsINC code: MMs00771295
Type: Neutral
Formula: C20H14F2N2O2
SMILES:   Fc1ccc(cc1)C(=O)N(C(=O)c1ccc(F)cc1)c1ncccc1C
InChI:   InChI=1/C20H14F2N2O2/c1-13-3-2-12-23-18(13)24(19(25)14-4-8-16(21)9-5-14)20(26)15-6-10-17(22)11-7-15/h2-12H,1H3

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Potential Energy
Epot(MMFF94)=155.523 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.34 g/mol  logS: -5.20764  SlogP: 4.15542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133494  Sterimol/B1: 2.42085  Sterimol/B2: 4.96367  Sterimol/B3: 5.35558
  Sterimol/B4: 5.62616  Sterimol/L: 14.9564 
 
 Surface and Volume Properties
  Accessible surface: 525.044  Positive charged surface: 262.913  Negative charged surface: 262.131  Volume: 309.25
  Hydrophobic surface: 460.91  Hydrophilic surface: 64.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.