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ENAMINE-ZINC03487290

 MMsINC code: MMs01469151
Type: Neutral
Formula: C24H24N2O6S
SMILES:   S(=O)(=O)(N(C)c1ccc(cc1)C)c1cc(ccc1)C(OCC(=O)Nc1ccc(OC)cc1)=
O
InChI:   InChI=1/C24H24N2O6S/c1-17-7-11-20(12-8-17)26(2)33(29,30)22-6-4-5-18(15-22)24(28)32-16-23(27)25-19-9-13-21(31-3)14-10-19/h4-15H,16H2,1-3H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=119.114 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.53 g/mol  logS: -6.02476  SlogP: 3.62422  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0296601  Sterimol/B1: 1.969  Sterimol/B2: 3.55056  Sterimol/B3: 4.15065
  Sterimol/B4: 10.3121  Sterimol/L: 21.9635 
 
 Surface and Volume Properties
  Accessible surface: 779.273  Positive charged surface: 482.731  Negative charged surface: 296.542  Volume: 426.125
  Hydrophobic surface: 634.274  Hydrophilic surface: 144.999
 
 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.