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CHEMBRIDGE-ZINC00483384

 MMsINC code: MMs00630032
Type: Neutral
Formula: C19H18N2O2
SMILES:   o1nc(-c2ccccc2)c(C(=O)Nc2cc(C)c(cc2)C)c1C
InChI:   InChI=1/C19H18N2O2/c1-12-9-10-16(11-13(12)2)20-19(22)17-14(3)23-21-18(17)15-7-5-4-6-8-15/h4-11H,1-3H3,(H,20,22)

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Potential Energy
Epot(MMFF94)=95.1125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.365 g/mol  logS: -5.65763  SlogP: 4.51916  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0888965  Sterimol/B1: 3.38399  Sterimol/B2: 4.06394  Sterimol/B3: 5.72835
  Sterimol/B4: 6.6647  Sterimol/L: 14.0861 
 
 Surface and Volume Properties
  Accessible surface: 565.738  Positive charged surface: 301.356  Negative charged surface: 264.382  Volume: 304.375
  Hydrophobic surface: 503.783  Hydrophilic surface: 61.955
 
 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.