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PUBCHEM-ZINC05427616

 MMsINC code: MMs03267404
Type: Ionized
Formula: C7H3INO6-
SMILES:   [I+2]([O-])([O-])c1cc([N+](=O)[O-])ccc1C(=O)[O-]
InChI:   InChI=1/C7H4INO6/c10-7(11)5-2-1-4(9(14)15)3-6(5)8(12)13/h1-3H,(H,10,11)/p-1

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Potential Energy
Epot(MMFF94)=33.107 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.006 g/mol  logS: -3.09752  SlogP: -2.7008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628413  Sterimol/B1: 2.80656  Sterimol/B2: 3.08669  Sterimol/B3: 3.46889
  Sterimol/B4: 6.65715  Sterimol/L: 10.8726 
 
 Surface and Volume Properties
  Accessible surface: 376.346  Positive charged surface: 121.193  Negative charged surface: 255.154  Volume: 178.875
  Hydrophobic surface: 97.6643  Hydrophilic surface: 278.6817
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 2  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:


MMs03267403
PUBCHEM-ZINC05427616