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PUBCHEM-ZINC00343886

 MMsINC code: MMs02659836
Type: Neutral
Formula: C12H10N2O3
SMILES:   O(C(=O)c1ccccc1)C=1N=C(NC(=O)C=1)C
InChI:   InChI=1/C12H10N2O3/c1-8-13-10(15)7-11(14-8)17-12(16)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14,15)

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Potential Energy
Epot(MMFF94)=43.795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.223 g/mol  logS: -3.11326  SlogP: 1.233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00472692  Sterimol/B1: 2.09997  Sterimol/B2: 2.16388  Sterimol/B3: 2.5121
  Sterimol/B4: 6.41721  Sterimol/L: 13.8372 
 
 Surface and Volume Properties
  Accessible surface: 443.24  Positive charged surface: 252.322  Negative charged surface: 190.918  Volume: 208.5
  Hydrophobic surface: 310.658  Hydrophilic surface: 132.582
 
 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.