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PUBCHEM-ZINC03129763

 MMsINC code: MMs02998148
Type: Neutral
Formula: C26H22O4S
SMILES:   S(=O)(=O)(c1ccc(Oc2ccc(cc2)C)cc1)c1ccc(Oc2ccc(cc2)C)cc1
InChI:   InChI=1/C26H22O4S/c1-19-3-7-21(8-4-19)29-23-11-15-25(16-12-23)31(27,28)26-17-13-24(14-18-26)30-22-9-5-20(2)6-10-22/h3-18H,1-2H3

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Potential Energy
Epot(MMFF94)=122.134 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 430.524 g/mol  logS: -7.86269  SlogP: 6.72084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0388799  Sterimol/B1: 4.00853  Sterimol/B2: 4.36345  Sterimol/B3: 4.39084
  Sterimol/B4: 5.79015  Sterimol/L: 22.8229 
 
 Surface and Volume Properties
  Accessible surface: 726.458  Positive charged surface: 388.802  Negative charged surface: 337.656  Volume: 408.25
  Hydrophobic surface: 668.509  Hydrophilic surface: 57.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.