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ENAMINE-ZINC02627854

 MMsINC code: MMs01260124
Type: Neutral
Formula: C20H20N2O5S2
SMILES:   s1cccc1S(=O)(=O)N(CC(=O)Nc1cc(OC)ccc1)c1ccccc1OC
InChI:   InChI=1/C20H20N2O5S2/c1-26-16-8-5-7-15(13-16)21-19(23)14-22(17-9-3-4-10-18(17)27-2)29(24,25)20-11-6-12-28-20/h3-13H,14H2,1-2H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=134.233 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 432.521 g/mol  logS: -5.1845  SlogP: 3.5993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.192448  Sterimol/B1: 4.32354  Sterimol/B2: 4.38954  Sterimol/B3: 5.54469
  Sterimol/B4: 6.19764  Sterimol/L: 16.6002 
 
 Surface and Volume Properties
  Accessible surface: 627.101  Positive charged surface: 380.757  Negative charged surface: 246.344  Volume: 378.75
  Hydrophobic surface: 532.949  Hydrophilic surface: 94.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.