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ENAMINE-ZINC03454743

 MMsINC code: MMs01453266
Type: Neutral
Formula: C22H22N2O4S
SMILES:   S(=O)(=O)(N1CCc2c1cccc2)c1cc(ccc1)C(=O)N(Cc1oc(cc1)C)C
InChI:   InChI=1/C22H22N2O4S/c1-16-10-11-19(28-16)15-23(2)22(25)18-7-5-8-20(14-18)29(26,27)24-13-12-17-6-3-4-9-21(17)24/h3-11,14H,12-13,15H2,1-2H3

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Potential Energy
Epot(MMFF94)=95.7668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.494 g/mol  logS: -5.17917  SlogP: 3.87799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0639963  Sterimol/B1: 3.0281  Sterimol/B2: 4.03252  Sterimol/B3: 5.63414
  Sterimol/B4: 5.99608  Sterimol/L: 19.8868 
 
 Surface and Volume Properties
  Accessible surface: 670.326  Positive charged surface: 399.777  Negative charged surface: 270.549  Volume: 379.875
  Hydrophobic surface: 576.384  Hydrophilic surface: 93.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.