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PUBCHEM-ZINC02184339

 MMsINC code: MMs02882969
Type: Ionized
Formula: C20H17N2O5S2-
SMILES:   s1cc(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)NCc1ccc(cc1)C(=O)[O-]
InChI:   InChI=1/C20H18N2O5S2/c1-22(16-5-3-2-4-6-16)29(26,27)17-11-18(28-13-17)19(23)21-12-14-7-9-15(10-8-14)20(24)25/h2-11,13H,12H2,1H3,(H,21,23)(H,24,25)/p-1

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Potential Energy
Epot(MMFF94)=46.5199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 429.497 g/mol  logS: -5.07285  SlogP: 2.1331  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0745893  Sterimol/B1: 2.58025  Sterimol/B2: 3.00373  Sterimol/B3: 5.55081
  Sterimol/B4: 7.62364  Sterimol/L: 18.319 
 
 Surface and Volume Properties
  Accessible surface: 669.936  Positive charged surface: 323.829  Negative charged surface: 346.107  Volume: 376.125
  Hydrophobic surface: 477.686  Hydrophilic surface: 192.25
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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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MMs02882968
PUBCHEM-ZINC02184339