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ENAMINE-ZINC06651357

 MMsINC code: MMs01692174
Type: Neutral
Formula: C19H22N2O4S2
SMILES:   s1cccc1C1N(CCC1)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChI:   InChI=1/C19H22N2O4S2/c22-19(21-9-1-3-17(21)18-4-2-14-26-18)15-5-7-16(8-6-15)27(23,24)20-10-12-25-13-11-20/h2,4-8,14,17H,1,3,9-13H2/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=93.8128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.527 g/mol  logS: -3.75701  SlogP: 2.8418  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0922101  Sterimol/B1: 2.52482  Sterimol/B2: 4.08054  Sterimol/B3: 4.74782
  Sterimol/B4: 7.83392  Sterimol/L: 16.3162 
 
 Surface and Volume Properties
  Accessible surface: 627.549  Positive charged surface: 395.562  Negative charged surface: 231.987  Volume: 361.625
  Hydrophobic surface: 534.655  Hydrophilic surface: 92.894
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.