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ASINEX-ZINC01679554

 MMsINC code: MMs00255700
Type: Neutral
Formula: C10H8N2O2
SMILES:   O=C1NC(=[NH+]C([O-])=C1)c1ccccc1
InChI:   InChI=1/C10H8N2O2/c13-8-6-9(14)12-10(11-8)7-4-2-1-3-5-7/h1-6H,(H2,11,12,13,14)

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Potential Energy
Epot(MMFF94)=-7.35293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.186 g/mol  logS: -2.63385  SlogP: -1.0845  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0209363  Sterimol/B1: 2.41101  Sterimol/B2: 2.75193  Sterimol/B3: 4.03827
  Sterimol/B4: 4.44614  Sterimol/L: 12.0849 
 
 Surface and Volume Properties
  Accessible surface: 373.315  Positive charged surface: 178.399  Negative charged surface: 194.916  Volume: 172.125
  Hydrophobic surface: 241.426  Hydrophilic surface: 131.889
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 1  Basic groups: 2
  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.