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PUBCHEM-ZINC02032322

 MMsINC code: MMs02859305
Type: Neutral
Formula: C14H14N2O6S2
SMILES:   S(=O)(=O)(NCc1ccc(S(=O)(=O)N)cc1)c1ccc(cc1)C(O)=O
InChI:   InChI=1/C14H14N2O6S2/c15-23(19,20)12-5-1-10(2-6-12)9-16-24(21,22)13-7-3-11(4-8-13)14(17)18/h1-8,16H,9H2,(H,17,18)(H2,15,19,20)

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Potential Energy
Epot(MMFF94)=2.69181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.406 g/mol  logS: -3.18677  SlogP: 0.7771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.070109  Sterimol/B1: 3.18395  Sterimol/B2: 3.50752  Sterimol/B3: 4.08056
  Sterimol/B4: 5.72404  Sterimol/L: 17.2103 
 
 Surface and Volume Properties
  Accessible surface: 575.135  Positive charged surface: 278.173  Negative charged surface: 296.962  Volume: 296.25
  Hydrophobic surface: 263.184  Hydrophilic surface: 311.951
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs02859306
PUBCHEM-ZINC02032322