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ASINEX-ZINC00079900

 MMsINC code: MMs00070941
Type: Neutral
Formula: C19H15NO2
SMILES:   Oc1cc(ccc1)C1CC(=O)Nc2c1c1c(cc2)cccc1
InChI:   InChI=1/C19H15NO2/c21-14-6-3-5-13(10-14)16-11-18(22)20-17-9-8-12-4-1-2-7-15(12)19(16)17/h1-10,16,21H,11H2,(H,20,22)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=78.7799 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: 0.235254  Sterimol/B1: 3.13132  Sterimol/B2: 3.74273  Sterimol/B3: 4.38019
  Sterimol/B4: 7.32496  Sterimol/L: 12.0059 
 
 Surface and Volume Properties
  Accessible surface: 498.081  Positive charged surface: 268.944  Negative charged surface: 219.448  Volume: 274.75
  Hydrophobic surface: 383.539  Hydrophilic surface: 114.542
 
 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.