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PUBCHEM-ZINC03013956

 MMsINC code: MMs02979769
Type: Neutral
Formula: C26H22O4S2
SMILES:   S(=O)(=O)(c1ccc(cc1)-c1ccc(S(=O)(=O)c2ccc(cc2)C)cc1)c1ccc(cc
1)C
InChI:   InChI=1/C26H22O4S2/c1-19-3-11-23(12-4-19)31(27,28)25-15-7-21(8-16-25)22-9-17-26(18-10-22)32(29,30)24-13-5-20(2)6-14-24/h3-18H,1-2H3

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Potential Energy
Epot(MMFF94)=118.933 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.59 g/mol  logS: -8.6882  SlogP: 5.63604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0711356  Sterimol/B1: 1.9857  Sterimol/B2: 3.62585  Sterimol/B3: 3.62945
  Sterimol/B4: 8.11757  Sterimol/L: 19.2677 
 
 Surface and Volume Properties
  Accessible surface: 738.034  Positive charged surface: 326.057  Negative charged surface: 399.935  Volume: 422.5
  Hydrophobic surface: 624.684  Hydrophilic surface: 113.35
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.