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ASINEX-ZINC00266262

 MMsINC code: MMs00103122
Type: Neutral
Formula: C11H10N2O3
SMILES:   o1nc(cc1C(=O)N)-c1cc(OC)ccc1
InChI:   InChI=1/C11H10N2O3/c1-15-8-4-2-3-7(5-8)9-6-10(11(12)14)16-13-9/h2-6H,1H3,(H2,12,14)

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Potential Energy
Epot(MMFF94)=48.6264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.212 g/mol  logS: -2.88183  SlogP: 1.4491  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00470094  Sterimol/B1: 2.3656  Sterimol/B2: 2.38438  Sterimol/B3: 2.3855
  Sterimol/B4: 5.3662  Sterimol/L: 15.0408 
 
 Surface and Volume Properties
  Accessible surface: 424.821  Positive charged surface: 259.82  Negative charged surface: 165.001  Volume: 198.75
  Hydrophobic surface: 270.58  Hydrophilic surface: 154.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.