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CHEMBRIDGE-ZINC00458980

 MMsINC code: MMs00622220
Type: Neutral
Formula: C19H19FN2O3
SMILES:   Fc1ccc(Oc2c(n[nH]c2C)-c2cc(CC)c(OC)cc2O)cc1
InChI:   InChI=1/C19H19FN2O3/c1-4-12-9-15(16(23)10-17(12)24-3)18-19(11(2)21-22-18)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)=93.5985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.37 g/mol  logS: -4.9713  SlogP: 4.59309  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.263335  Sterimol/B1: 2.80379  Sterimol/B2: 3.97829  Sterimol/B3: 6.45311
  Sterimol/B4: 7.14722  Sterimol/L: 14.1227 
 
 Surface and Volume Properties
  Accessible surface: 579.917  Positive charged surface: 376.361  Negative charged surface: 203.556  Volume: 322.625
  Hydrophobic surface: 457.304  Hydrophilic surface: 122.613
 
 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.