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ASINEX-ZINC00327111

 MMsINC code: MMs00119101
Type: Neutral
Formula: C20H19FN2O2
SMILES:   Fc1cc(ccc1)C=1OC(=O)/C(/N=1)=C/c1ccc(N(CC)CC)cc1
InChI:   InChI=1/C20H19FN2O2/c1-3-23(4-2)17-10-8-14(9-11-17)12-18-20(24)25-19(22-18)15-6-5-7-16(21)13-15/h5-13H,3-4H2,1-2H3/b18-12-

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Potential Energy
Epot(MMFF94)=101.883 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.382 g/mol  logS: -5.93382  SlogP: 4.0164  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.034182  Sterimol/B1: 2.06343  Sterimol/B2: 4.81137  Sterimol/B3: 5.43194
  Sterimol/B4: 5.99762  Sterimol/L: 17.0923 
 
 Surface and Volume Properties
  Accessible surface: 594.172  Positive charged surface: 335.829  Negative charged surface: 258.343  Volume: 327.25
  Hydrophobic surface: 454.531  Hydrophilic surface: 139.641
 
 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.