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PUBCHEM-ZINC05492396

 MMsINC code: MMs03285826
Type: Neutral
Formula: C15H15NO6S2
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)

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Potential Energy
Epot(MMFF94)=58.5818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.418 g/mol  logS: -3.31728  SlogP: 1.89752  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.253904  Sterimol/B1: 2.16538  Sterimol/B2: 3.48403  Sterimol/B3: 5.34074
  Sterimol/B4: 7.74969  Sterimol/L: 14.0566 
 
 Surface and Volume Properties
  Accessible surface: 553.673  Positive charged surface: 265.024  Negative charged surface: 288.649  Volume: 300.375
  Hydrophobic surface: 318.61  Hydrophilic surface: 235.063
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  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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Ions/Tautomers related molecules


MMs03285827
PUBCHEM-ZINC05492396