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ENAMINE-ZINC03608280

 MMsINC code: MMs01523202
Type: Neutral
Formula: C23H22N2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(ccc1)C(=O)Nc1ccc(cc1)-c1ccccc1
InChI:   InChI=1/C23H22N2O4S/c26-23(24-21-11-9-19(10-12-21)18-5-2-1-3-6-18)20-7-4-8-22(17-20)30(27,28)25-13-15-29-16-14-25/h1-12,17H,13-16H2,(H,24,26)

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Potential Energy
Epot(MMFF94)=117.091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.505 g/mol  logS: -5.98629  SlogP: 3.6268  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0173855  Sterimol/B1: 3.17987  Sterimol/B2: 3.8115  Sterimol/B3: 4.25627
  Sterimol/B4: 7.26521  Sterimol/L: 21.2401 
 
 Surface and Volume Properties
  Accessible surface: 688.859  Positive charged surface: 391.302  Negative charged surface: 287.299  Volume: 389.375
  Hydrophobic surface: 583.549  Hydrophilic surface: 105.31
 
 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.