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ENAMINE-ZINC03556109

 MMsINC code: MMs01506448
Type: Neutral
Formula: C24H24N2O6S
SMILES:   S(=O)(=O)(N(C)c1ccc(OC)cc1)c1cc(ccc1)C(=O)Nc1cc(ccc1C)C(OC)=
O
InChI:   InChI=1/C24H24N2O6S/c1-16-8-9-18(24(28)32-4)15-22(16)25-23(27)17-6-5-7-21(14-17)33(29,30)26(2)19-10-12-20(31-3)13-11-19/h5-15H,1-4H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=123.217 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.53 g/mol  logS: -5.68487  SlogP: 3.86762  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0497905  Sterimol/B1: 2.03616  Sterimol/B2: 4.36196  Sterimol/B3: 5.02681
  Sterimol/B4: 9.35715  Sterimol/L: 21.4329 
 
 Surface and Volume Properties
  Accessible surface: 757.267  Positive charged surface: 490.021  Negative charged surface: 267.246  Volume: 425.875
  Hydrophobic surface: 628.438  Hydrophilic surface: 128.829
 
 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.