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IFLAB-ZINC04148039

 MMsINC code: MMs02022352
Type: Neutral
Formula: C18H16N2O2
SMILES:   o1cnc(C)c1C(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C18H16N2O2/c1-13-17(22-12-19-13)18(21)20-16(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12,16H,1H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=57.9825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.338 g/mol  logS: -4.34765  SlogP: 3.59792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.215366  Sterimol/B1: 2.59982  Sterimol/B2: 5.09131  Sterimol/B3: 5.70692
  Sterimol/B4: 5.93379  Sterimol/L: 13.4641 
 
 Surface and Volume Properties
  Accessible surface: 540.831  Positive charged surface: 327.627  Negative charged surface: 213.204  Volume: 289.75
  Hydrophobic surface: 448.895  Hydrophilic surface: 91.936
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.