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NCID-ZINC01588709

 MMsINC code: MMs02244158
Type: Ionized
Formula: C5H3NO4S2-2
SMILES:   s1c(ccc1S(=O)([O-])=[NH])C(=O)[O-]
InChI:   InChI=1/C5H5NO4S2/c6-12(9,10)4-2-1-3(11-4)5(7)8/h1-2H,(H3,6,7,8,9,10)/p-2

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Potential Energy
Epot(MMFF94)=30.0963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.214 g/mol  logS: -1.98366  SlogP: -0.9168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0520915  Sterimol/B1: 2.7377  Sterimol/B2: 2.97352  Sterimol/B3: 3.45147
  Sterimol/B4: 4.97311  Sterimol/L: 10.7991 
 
 Surface and Volume Properties
  Accessible surface: 332.269  Positive charged surface: 81.1563  Negative charged surface: 251.113  Volume: 142.625
  Hydrophobic surface: 130.614  Hydrophilic surface: 201.655
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  Acid groups: 5  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:


MMs02244157
NCID-ZINC01588709