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ENAMINE-ZINC03322211

 MMsINC code: MMs01370821
Type: Neutral
Formula: C23H24N2O4S2
SMILES:   s1c(ccc1S(=O)(=O)N1CCOCC1)CC(=O)NC(c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H24N2O4S2/c26-21(24-23(18-7-3-1-4-8-18)19-9-5-2-6-10-19)17-20-11-12-22(30-20)31(27,28)25-13-15-29-16-14-25/h1-12,23H,13-17H2,(H,24,26)

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Potential Energy
Epot(MMFF94)=100.133 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.587 g/mol  logS: -5.45125  SlogP: 3.31277  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577338  Sterimol/B1: 2.55365  Sterimol/B2: 4.15398  Sterimol/B3: 4.22007
  Sterimol/B4: 8.33309  Sterimol/L: 20.1168 
 
 Surface and Volume Properties
  Accessible surface: 735.939  Positive charged surface: 431.41  Negative charged surface: 304.529  Volume: 413.875
  Hydrophobic surface: 638.882  Hydrophilic surface: 97.057
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.