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ASINEX-ZINC00194261

 MMsINC code: MMs00089448
Type: Neutral
Formula: C16H16N2O2
SMILES:   O1C(CNC1=O)CN(c1ccccc1)c1ccccc1
InChI:   InChI=1/C16H16N2O2/c19-16-17-11-15(20-16)12-18(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,19)/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=70.9013 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.316 g/mol  logS: -3.53438  SlogP: 2.9331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.173421  Sterimol/B1: 2.53057  Sterimol/B2: 3.5783  Sterimol/B3: 3.92296
  Sterimol/B4: 8.96424  Sterimol/L: 12.6637 
 
 Surface and Volume Properties
  Accessible surface: 489.998  Positive charged surface: 309.58  Negative charged surface: 180.418  Volume: 263.625
  Hydrophobic surface: 391.202  Hydrophilic surface: 98.796
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.