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PUBCHEM-ZINC06030296

 MMsINC code: MMs03502776
Type: Neutral
Formula: C19H20N2O2
SMILES:   o1nc(c2c1cccc2)C(C(=O)NC(C)(C)c1ccccc1)C
InChI:   InChI=1/C19H20N2O2/c1-13(17-15-11-7-8-12-16(15)23-21-17)18(22)20-19(2,3)14-9-5-4-6-10-14/h4-13H,1-3H3,(H,20,22)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=83.7868 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.381 g/mol  logS: -4.86252  SlogP: 4.2943  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0932327  Sterimol/B1: 2.01803  Sterimol/B2: 3.97126  Sterimol/B3: 4.82902
  Sterimol/B4: 6.19435  Sterimol/L: 17.046 
 
 Surface and Volume Properties
  Accessible surface: 558.613  Positive charged surface: 310.377  Negative charged surface: 243.999  Volume: 308.625
  Hydrophobic surface: 478.282  Hydrophilic surface: 80.331
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.