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IFLAB-ZINC04148068

 MMsINC code: MMs02022377
Type: Neutral
Formula: C19H18N2O2
SMILES:   o1c(C(=O)NC(c2ccccc2)c2ccccc2)c(nc1C)C
InChI:   InChI=1/C19H18N2O2/c1-13-18(23-14(2)20-13)19(22)21-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,1-2H3,(H,21,22)

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Potential Energy
Epot(MMFF94)=59.0892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.365 g/mol  logS: -4.33994  SlogP: 3.90634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.209369  Sterimol/B1: 2.50133  Sterimol/B2: 3.8775  Sterimol/B3: 6.6411
  Sterimol/B4: 7.3112  Sterimol/L: 13.6918 
 
 Surface and Volume Properties
  Accessible surface: 577.289  Positive charged surface: 340.445  Negative charged surface: 236.844  Volume: 307.375
  Hydrophobic surface: 517.585  Hydrophilic surface: 59.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.