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ACDBLOCKS-ZINC03715890

 MMsINC code: MMs00001386
Type: Neutral
Formula: C16H14N2O2
SMILES:   o1nc(cc1N)-c1cc(OCc2ccccc2)ccc1
InChI:   InChI=1/C16H14N2O2/c17-16-10-15(18-20-16)13-7-4-8-14(9-13)19-11-12-5-2-1-3-6-12/h1-10H,11,17H2

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Potential Energy
Epot(MMFF94)=75.6619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.3 g/mol  logS: -4.27683  SlogP: 3.7692  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0403934  Sterimol/B1: 2.73269  Sterimol/B2: 3.61677  Sterimol/B3: 3.62904
  Sterimol/B4: 6.37166  Sterimol/L: 17.3751 
 
 Surface and Volume Properties
  Accessible surface: 520.373  Positive charged surface: 291.008  Negative charged surface: 229.364  Volume: 258.375
  Hydrophobic surface: 395.977  Hydrophilic surface: 124.396
 
 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.