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PUBCHEM-ZINC01116485

 MMsINC code: MMs02773066
Type: Neutral
Formula: C24H24N2O6S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccccc1C(OC)=O)c1ccc(OCc2ccccc2)cc1)C
InChI:   InChI=1/C24H24N2O6S/c1-31-24(28)21-10-6-7-11-22(21)25-23(27)16-26(33(2,29)30)19-12-14-20(15-13-19)32-17-18-8-4-3-5-9-18/h3-15H,16-17H2,1-2H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.53 g/mol  logS: -5.49488  SlogP: 3.7233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107532  Sterimol/B1: 2.29323  Sterimol/B2: 2.44249  Sterimol/B3: 6.96581
  Sterimol/B4: 10.9171  Sterimol/L: 18.6956 
 
 Surface and Volume Properties
  Accessible surface: 753.265  Positive charged surface: 439.202  Negative charged surface: 314.063  Volume: 428.125
  Hydrophobic surface: 624.296  Hydrophilic surface: 128.969
 
 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.