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CHEMDIV-ZINC03048224

 MMsINC code: MMs00908068
Type: Neutral
Formula: C26H24N2O6S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc2c(oc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2C)c
c1
InChI:   InChI=1/C26H24N2O6S/c1-18-23-17-22(35(30,31)28-13-15-32-16-14-28)11-12-24(23)34-25(18)26(29)27-19-7-9-21(10-8-19)33-20-5-3-2-4-6-20/h2-12,17H,13-16H2,1H3,(H,27,29)

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Potential Energy
Epot(MMFF94)=122.896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.552 g/mol  logS: -7.10134  SlogP: 4.80672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0361957  Sterimol/B1: 2.54861  Sterimol/B2: 4.19554  Sterimol/B3: 6.01025
  Sterimol/B4: 6.13367  Sterimol/L: 23.3546 
 
 Surface and Volume Properties
  Accessible surface: 777.639  Positive charged surface: 482.112  Negative charged surface: 289.756  Volume: 442.5
  Hydrophobic surface: 668.247  Hydrophilic surface: 109.392
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.