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CHEMBRIDGE-ZINC00494903

 MMsINC code: MMs00630248
Type: Neutral
Formula: C14H12F4N2O2
SMILES:   Fc1c(COC(=O)C)c(F)c(F)c(-n2nc(cc2C)C)c1F
InChI:   InChI=1/C14H12F4N2O2/c1-6-4-7(2)20(19-6)14-12(17)10(15)9(5-22-8(3)21)11(16)13(14)18/h4H,5H2,1-3H3

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Potential Energy
Epot(MMFF94)=44.353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.254 g/mol  logS: -3.73458  SlogP: 3.37504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0581821  Sterimol/B1: 2.34997  Sterimol/B2: 2.71318  Sterimol/B3: 4.19368
  Sterimol/B4: 6.47385  Sterimol/L: 15.8934 
 
 Surface and Volume Properties
  Accessible surface: 522.045  Positive charged surface: 274.603  Negative charged surface: 247.442  Volume: 257.625
  Hydrophobic surface: 454.509  Hydrophilic surface: 67.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.