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PUBCHEM-ZINC05945176

 MMsINC code: MMs03455661
Type: Ionized
Formula: C5H3NO6S2-2
SMILES:   S(=O)(=O)([O-])c1ccc(S(=O)(=O)[O-])nc1
InChI:   InChI=1/C5H5NO6S2/c7-13(8,9)4-1-2-5(6-3-4)14(10,11)12/h1-3H,(H,7,8,9)(H,10,11,12)/p-2

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Potential Energy
Epot(MMFF94)=60.8582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.212 g/mol  logS: -0.68118  SlogP: -1.1102  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0598789  Sterimol/B1: 2.43447  Sterimol/B2: 3.06521  Sterimol/B3: 3.21692
  Sterimol/B4: 4.8444  Sterimol/L: 10.7086 
 
 Surface and Volume Properties
  Accessible surface: 353.872  Positive charged surface: 85.2973  Negative charged surface: 268.575  Volume: 151.75
  Hydrophobic surface: 102.821  Hydrophilic surface: 251.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 6  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:


MMs03455660
PUBCHEM-ZINC05945176