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CHEMBRIDGE-ZINC00389021

 MMsINC code: MMs00611963
Type: Neutral
Formula: C19H19FN2O3
SMILES:   Fc1ccc(Oc2c(n[nH]c2C)-c2ccc(OCC)c(C)c2O)cc1
InChI:   InChI=1/C19H19FN2O3/c1-4-24-16-10-9-15(18(23)11(16)2)17-19(12(3)21-22-17)25-14-7-5-13(20)6-8-14/h5-10,23H,4H2,1-3H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=100.375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.37 g/mol  logS: -4.78329  SlogP: 4.72924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0974567  Sterimol/B1: 2.95718  Sterimol/B2: 4.53599  Sterimol/B3: 4.82634
  Sterimol/B4: 6.79765  Sterimol/L: 14.7957 
 
 Surface and Volume Properties
  Accessible surface: 591.043  Positive charged surface: 374.745  Negative charged surface: 216.297  Volume: 321.625
  Hydrophobic surface: 478.699  Hydrophilic surface: 112.344
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.