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PUBCHEM-ZINC01018164

 MMsINC code: MMs02758158
Type: Neutral
Formula: C16H14N2O2
SMILES:   o1nc(c2c1cccc2)CC(=O)Nc1cc(ccc1)C
InChI:   InChI=1/C16H14N2O2/c1-11-5-4-6-12(9-11)17-16(19)10-14-13-7-2-3-8-15(13)20-18-14/h2-9H,10H2,1H3,(H,17,19)

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Potential Energy
Epot(MMFF94)=67.1846 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.3 g/mol  logS: -4.53621  SlogP: 3.31739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903308  Sterimol/B1: 3.03825  Sterimol/B2: 3.30144  Sterimol/B3: 4.28957
  Sterimol/B4: 5.45393  Sterimol/L: 15.5256 
 
 Surface and Volume Properties
  Accessible surface: 499.42  Positive charged surface: 279.879  Negative charged surface: 216.224  Volume: 258.25
  Hydrophobic surface: 436.961  Hydrophilic surface: 62.459
 
 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.