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CHEMBLOCK-ZINC00118620

 MMsINC code: MMs00500274
Type: Neutral
Formula: C10H8N2O4
SMILES:   O=C1NC(=O)c2c1cc(NC(OC)=O)cc2
InChI:   InChI=1/C10H8N2O4/c1-16-10(15)11-5-2-3-6-7(4-5)9(14)12-8(6)13/h2-4H,1H3,(H,11,15)(H,12,13,14)

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Potential Energy
Epot(MMFF94)=23.8821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.184 g/mol  logS: -2.31963  SlogP: 0.7485  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.018081  Sterimol/B1: 2.56927  Sterimol/B2: 2.65077  Sterimol/B3: 4.02289
  Sterimol/B4: 5.13121  Sterimol/L: 13.8153 
 
 Surface and Volume Properties
  Accessible surface: 403.231  Positive charged surface: 253.444  Negative charged surface: 149.787  Volume: 186.625
  Hydrophobic surface: 201.674  Hydrophilic surface: 201.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.