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PUBCHEM-ZINC01173721

 MMsINC code: MMs02783132
Type: Neutral
Formula: C24H26N2O6S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccc(OCc2ccccc2)cc1)c1cc(OC)c(OC)cc1)C
InChI:   InChI=1/C24H26N2O6S/c1-30-22-14-11-20(15-23(22)31-2)26(33(3,28)29)16-24(27)25-19-9-12-21(13-10-19)32-17-18-7-5-4-6-8-18/h4-15H,16-17H2,1-3H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=155.227 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.546 g/mol  logS: -5.21391  SlogP: 3.9539  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0466217  Sterimol/B1: 2.54398  Sterimol/B2: 3.46616  Sterimol/B3: 4.88815
  Sterimol/B4: 9.46981  Sterimol/L: 20.9487 
 
 Surface and Volume Properties
  Accessible surface: 769.521  Positive charged surface: 492.664  Negative charged surface: 276.857  Volume: 431.125
  Hydrophobic surface: 658.01  Hydrophilic surface: 111.511
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.