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PUBCHEM-ZINC00386205

 MMsINC code: MMs02670112
Type: Neutral
Formula: C15H17NO4S2
SMILES:   S(=O)(=O)(C)c1cc(S(=O)(=O)Nc2ccccc2C)c(cc1)C
InChI:   InChI=1/C15H17NO4S2/c1-11-6-4-5-7-14(11)16-22(19,20)15-10-13(21(3,17)18)9-8-12(15)2/h4-10,16H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.0461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.436 g/mol  logS: -3.50835  SlogP: 2.50774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.254432  Sterimol/B1: 2.56694  Sterimol/B2: 5.20219  Sterimol/B3: 5.81022
  Sterimol/B4: 5.89934  Sterimol/L: 13.0029 
 
 Surface and Volume Properties
  Accessible surface: 513.547  Positive charged surface: 246.023  Negative charged surface: 267.524  Volume: 293.875
  Hydrophobic surface: 377.025  Hydrophilic surface: 136.522
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: no related molecules available.