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PUBCHEM-ZINC01049390

 MMsINC code: MMs02760832
Type: Neutral
Formula: C24H23FN2O6S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccccc1C(OC)=O)c1ccc(OCC)cc1)c1ccc(F)cc1
InChI:   InChI=1/C24H23FN2O6S/c1-3-33-19-12-10-18(11-13-19)27(34(30,31)20-14-8-17(25)9-15-20)16-23(28)26-22-7-5-4-6-21(22)24(29)32-2/h4-15H,3,16H2,1-2H3,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=122.014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.52 g/mol  logS: -6.17303  SlogP: 3.845  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0602559  Sterimol/B1: 2.97769  Sterimol/B2: 3.47796  Sterimol/B3: 4.72716
  Sterimol/B4: 12.307  Sterimol/L: 19.0365 
 
 Surface and Volume Properties
  Accessible surface: 759.102  Positive charged surface: 460.583  Negative charged surface: 298.519  Volume: 430.875
  Hydrophobic surface: 629.096  Hydrophilic surface: 130.006
 
 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.