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CHEMDIV-ZINC06836013

 MMsINC code: MMs01045189
Type: Neutral
Formula: C19H20N2O2
SMILES:   o1nc(c2c1cccc2)CC(=O)N(CC)c1cc(C)c(cc1)C
InChI:   InChI=1/C19H20N2O2/c1-4-21(15-10-9-13(2)14(3)11-15)19(22)12-17-16-7-5-6-8-18(16)23-20-17/h5-11H,4,12H2,1-3H3

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Potential Energy
Epot(MMFF94)=90.7727 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.381 g/mol  logS: -5.23135  SlogP: 4.04021  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140015  Sterimol/B1: 2.50067  Sterimol/B2: 3.9817  Sterimol/B3: 4.36423
  Sterimol/B4: 7.94297  Sterimol/L: 15.7348 
 
 Surface and Volume Properties
  Accessible surface: 575.404  Positive charged surface: 331.933  Negative charged surface: 239.883  Volume: 313.25
  Hydrophobic surface: 508.585  Hydrophilic surface: 66.819
 
 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.