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CHEMDIV-ZINC00208097

 MMsINC code: MMs00839935
Type: Ionized
Formula: C10H4N2O4-2
SMILES:   O=C([O-])c1nc2c(nc1C(=O)[O-])cccc2
InChI:   InChI=1/C10H6N2O4/c13-9(14)7-8(10(15)16)12-6-4-2-1-3-5(6)11-7/h1-4H,(H,13,14)(H,15,16)/p-2

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Potential Energy
Epot(MMFF94)=110.638 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.152 g/mol  logS: -1.44962  SlogP: -1.6432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0260159  Sterimol/B1: 2.90911  Sterimol/B2: 2.93228  Sterimol/B3: 3.51384
  Sterimol/B4: 4.90194  Sterimol/L: 11.0433 
 
 Surface and Volume Properties
  Accessible surface: 380.429  Positive charged surface: 143.741  Negative charged surface: 236.687  Volume: 175.75
  Hydrophobic surface: 174.401  Hydrophilic surface: 206.028
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 4  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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Parent related molecule:


MMs00839934
CHEMDIV-ZINC00208097