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PUBCHEM-ZINC03583959

 MMsINC code: MMs03017295
Type: Neutral
Formula: C19H16N2O6S2
SMILES:   S1(=O)(=O)N(S(=O)(=O)c2c1cccc2)NC(=O)C(Oc1cc2c(cc1)cccc2)C
InChI:   InChI=1/C19H16N2O6S2/c1-13(27-16-11-10-14-6-2-3-7-15(14)12-16)19(22)20-21-28(23,24)17-8-4-5-9-18(17)29(21,25)26/h2-13H,1H3,(H,20,22)/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=124.103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.477 g/mol  logS: -6.13526  SlogP: 2.0315  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0458791  Sterimol/B1: 2.17367  Sterimol/B2: 3.10018  Sterimol/B3: 5.16045
  Sterimol/B4: 6.34501  Sterimol/L: 20.5589 
 
 Surface and Volume Properties
  Accessible surface: 638.69  Positive charged surface: 283.184  Negative charged surface: 346.022  Volume: 351.375
  Hydrophobic surface: 449.983  Hydrophilic surface: 188.707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.