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ASINEX-ZINC04944840

 MMsINC code: MMs00409673
Type: Neutral
Formula: C19H15NO2
SMILES:   Oc1ccc(cc1)C1CC(=O)Nc2c1c1c(cc2)cccc1
InChI:   InChI=1/C19H15NO2/c21-14-8-5-13(6-9-14)16-11-18(22)20-17-10-7-12-3-1-2-4-15(12)19(16)17/h1-10,16,21H,11H2,(H,20,22)/t16-/m0/s1

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Potential Energy
Epot(MMFF94)=79.3501 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: 0.229778  Sterimol/B1: 2.81868  Sterimol/B2: 3.54323  Sterimol/B3: 4.53058
  Sterimol/B4: 7.14701  Sterimol/L: 12.9134 
 
 Surface and Volume Properties
  Accessible surface: 494.633  Positive charged surface: 267.498  Negative charged surface: 217.446  Volume: 275.5
  Hydrophobic surface: 381.401  Hydrophilic surface: 113.232
 
 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.