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PUBCHEM-ZINC05399990

 MMsINC code: MMs03257953
Type: Neutral
Formula: C19H20N2O2
SMILES:   O(C)c1cc(CC)c(-c2n[nH]c(C)c2-c2ccccc2)c(O)c1
InChI:   InChI=1/C19H20N2O2/c1-4-13-10-15(23-3)11-16(22)18(13)19-17(12(2)20-21-19)14-8-6-5-7-9-14/h5-11,22H,4H2,1-3H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=93.8463 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.381 g/mol  logS: -5.63344  SlogP: 4.32869  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172022  Sterimol/B1: 2.4105  Sterimol/B2: 4.17074  Sterimol/B3: 4.2479
  Sterimol/B4: 9.71913  Sterimol/L: 13.6767 
 
 Surface and Volume Properties
  Accessible surface: 547.965  Positive charged surface: 388.825  Negative charged surface: 159.139  Volume: 310.5
  Hydrophobic surface: 439.786  Hydrophilic surface: 108.179
 
 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.