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NCID-ZINC01642634

 MMsINC code: MMs02284374
Type: Ionized
Formula: C6H2N2O6-2
SMILES:   O=C1NC(=O)NC(C(=O)[O-])=C1C(=O)[O-]
InChI:   InChI=1/C6H4N2O6/c9-3-1(4(10)11)2(5(12)13)7-6(14)8-3/h(H,10,11)(H,12,13)(H2,7,8,9,14)/p-2

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Potential Energy
Epot(MMFF94)=0.521981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.09 g/mol  logS: -1.23402  SlogP: -4.4203  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0492675  Sterimol/B1: 2.95752  Sterimol/B2: 2.95801  Sterimol/B3: 3.83439
  Sterimol/B4: 5.41164  Sterimol/L: 9.45038 
 
 Surface and Volume Properties
  Accessible surface: 322.61  Positive charged surface: 109.729  Negative charged surface: 212.881  Volume: 139.75
  Hydrophobic surface: 7.87205  Hydrophilic surface: 314.73795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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:


MMs02284373
NCID-ZINC01642634