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PUBCHEM-ZINC05492396

 MMsINC code: MMs03285827
Type: Ionized
Formula: C15H14NO6S2-
SMILES:   S(=O)(=O)(C)c1cc(S(=O)(=O)Nc2cc(ccc2)C(=O)[O-])c(cc1)C
InChI:   InChI=1/C15H15NO6S2/c1-10-6-7-13(23(2,19)20)9-14(10)24(21,22)16-12-5-3-4-11(8-12)15(17)18/h3-9,16H,1-2H3,(H,17,18)/p-1

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Potential Energy
Epot(MMFF94)=39.8403 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.41 g/mol  logS: -3.57773  SlogP: 0.56282  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.286815  Sterimol/B1: 2.17604  Sterimol/B2: 3.93408  Sterimol/B3: 5.11955
  Sterimol/B4: 8.37473  Sterimol/L: 13.2966 
 
 Surface and Volume Properties
  Accessible surface: 540.272  Positive charged surface: 230.146  Negative charged surface: 310.126  Volume: 302.875
  Hydrophobic surface: 313.253  Hydrophilic surface: 227.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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:


MMs03285826
PUBCHEM-ZINC05492396