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CHEMDIV-ZINC02183252

 MMsINC code: MMs00871321
Type: Neutral
Formula: C16H14N2O2
SMILES:   o1nc(c2c1cccc2)CC(=O)N(C)c1ccccc1
InChI:   InChI=1/C16H14N2O2/c1-18(12-7-3-2-4-8-12)16(19)11-14-13-9-5-6-10-15(13)20-17-14/h2-10H,11H2,1H3

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Potential Energy
Epot(MMFF94)=78.8431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.3 g/mol  logS: -3.9563  SlogP: 3.03327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104792  Sterimol/B1: 2.33139  Sterimol/B2: 2.36991  Sterimol/B3: 5.33819
  Sterimol/B4: 6.65313  Sterimol/L: 14.7782 
 
 Surface and Volume Properties
  Accessible surface: 500.431  Positive charged surface: 285.98  Negative charged surface: 211.006  Volume: 259.625
  Hydrophobic surface: 454.849  Hydrophilic surface: 45.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.