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ASINEX-ZINC00357216

 MMsINC code: MMs00123722
Type: Neutral
Formula: C17H16N2O
SMILES:   Oc1ccccc1-c1c(n(nc1C)-c1ccccc1)C
InChI:   InChI=1/C17H16N2O/c1-12-17(15-10-6-7-11-16(15)20)13(2)19(18-12)14-8-4-3-5-9-14/h3-11,20H,1-2H3

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Potential Energy
Epot(MMFF94)=83.9594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.328 g/mol  logS: -4.23  SlogP: 3.86174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103451  Sterimol/B1: 2.14391  Sterimol/B2: 2.64111  Sterimol/B3: 4.94879
  Sterimol/B4: 6.68695  Sterimol/L: 15.2207 
 
 Surface and Volume Properties
  Accessible surface: 503.171  Positive charged surface: 284.591  Negative charged surface: 218.58  Volume: 270.125
  Hydrophobic surface: 449.014  Hydrophilic surface: 54.157
 
 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.