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ENAMINE-ZINC00251957

 MMsINC code: MMs01227655
Type: Neutral
Formula: C16H14N2O2
SMILES:   o1nc(C)c(C(=O)Nc2cc3c(cc2)cccc3)c1C
InChI:   InChI=1/C16H14N2O2/c1-10-15(11(2)20-18-10)16(19)17-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=76.7603 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.3 g/mol  logS: -4.50588  SlogP: 3.69694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0745595  Sterimol/B1: 2.28811  Sterimol/B2: 2.54977  Sterimol/B3: 4.71478
  Sterimol/B4: 6.78811  Sterimol/L: 14.9317 
 
 Surface and Volume Properties
  Accessible surface: 506.943  Positive charged surface: 254.911  Negative charged surface: 241.002  Volume: 257.25
  Hydrophobic surface: 444.204  Hydrophilic surface: 62.739
 
 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.