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ASINEX-ZINC00804519

 MMsINC code: MMs00171869
Type: Neutral
Formula: C11H10N2O
SMILES:   O=C1NC(=CC(=N1)c1ccccc1)C
InChI:   InChI=1/C11H10N2O/c1-8-7-10(13-11(14)12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,13,14)

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Potential Energy
Epot(MMFF94)=34.0802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.214 g/mol  logS: -2.74066  SlogP: 2.1027  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00789525  Sterimol/B1: 2.09923  Sterimol/B2: 2.51185  Sterimol/B3: 2.63692
  Sterimol/B4: 6.27985  Sterimol/L: 12.3874 
 
 Surface and Volume Properties
  Accessible surface: 389.151  Positive charged surface: 210.571  Negative charged surface: 178.581  Volume: 181.5
  Hydrophobic surface: 290.989  Hydrophilic surface: 98.162
 
 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.