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CHEMSTAR-ZINC04151170

 MMsINC code: MMs01109184
Type: Neutral
Formula: C19H15NO2
SMILES:   Oc1ccc(cc1)C1CC(=O)Nc2c1ccc1c2cccc1
InChI:   InChI=1/C19H15NO2/c21-14-8-5-13(6-9-14)17-11-18(22)20-19-15-4-2-1-3-12(15)7-10-16(17)19/h1-10,17,21H,11H2,(H,20,22)/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=81.9688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.334 g/mol  logS: -4.81115  SlogP: 4.0195  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.228392  Sterimol/B1: 3.51559  Sterimol/B2: 4.07605  Sterimol/B3: 5.56591
  Sterimol/B4: 5.69224  Sterimol/L: 13.9453 
 
 Surface and Volume Properties
  Accessible surface: 508.539  Positive charged surface: 273.284  Negative charged surface: 224.185  Volume: 276.875
  Hydrophobic surface: 402.613  Hydrophilic surface: 105.926
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.