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MAYBRIDGE-ZINC00123903

 MMsINC code: MMs02135806
Type: Neutral
Formula: C11H10N2O2
SMILES:   o1nc(cc1/C(=N\O)/C)-c1ccccc1
InChI:   InChI=1/C11H10N2O2/c1-8(12-14)11-7-10(13-15-11)9-5-3-2-4-6-9/h2-7,14H,1H3/b12-8+

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Potential Energy
Epot(MMFF94)=63.8548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.213 g/mol  logS: -2.70682  SlogP: 2.5398  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0052071  Sterimol/B1: 2.10016  Sterimol/B2: 2.51241  Sterimol/B3: 2.7624
  Sterimol/B4: 4.97627  Sterimol/L: 13.7472 
 
 Surface and Volume Properties
  Accessible surface: 416.919  Positive charged surface: 223.137  Negative charged surface: 193.782  Volume: 193.5
  Hydrophobic surface: 311.444  Hydrophilic surface: 105.475
 
 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.