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ENAMINE-ZINC03424352

 MMsINC code: MMs01433623
Type: Neutral
Formula: C19H18N2O6S2
SMILES:   S(=O)(=O)(Nc1ccc(S(=O)(=O)NCc2occc2)cc1)c1ccc(cc1)C(=O)C
InChI:   InChI=1/C19H18N2O6S2/c1-14(22)15-4-8-19(9-5-15)29(25,26)21-16-6-10-18(11-7-16)28(23,24)20-13-17-3-2-12-27-17/h2-12,20-21H,13H2,1H3

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Potential Energy
Epot(MMFF94)=36.6187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 434.493 g/mol  logS: -4.71644  SlogP: 3.0279  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.066054  Sterimol/B1: 2.56593  Sterimol/B2: 2.99078  Sterimol/B3: 5.20102
  Sterimol/B4: 8.06593  Sterimol/L: 20.0657 
 
 Surface and Volume Properties
  Accessible surface: 665.037  Positive charged surface: 317.377  Negative charged surface: 347.66  Volume: 364.625
  Hydrophobic surface: 444.923  Hydrophilic surface: 220.114
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.