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ENAMINE-ZINC03463873

 MMsINC code: MMs01458554
Type: Neutral
Formula: C24H24N2O6S
SMILES:   S(=O)(=O)(N(C)c1ccccc1)c1cc(ccc1)C(OCC(=O)NCc1ccccc1OC)=O
InChI:   InChI=1/C24H24N2O6S/c1-26(20-11-4-3-5-12-20)33(29,30)21-13-8-10-18(15-21)24(28)32-17-23(27)25-16-19-9-6-7-14-22(19)31-2/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)=102.366 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.53 g/mol  logS: -5.49488  SlogP: 3.2599  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0479983  Sterimol/B1: 2.97595  Sterimol/B2: 3.32993  Sterimol/B3: 6.15038
  Sterimol/B4: 6.34446  Sterimol/L: 23.1905 
 
 Surface and Volume Properties
  Accessible surface: 775.11  Positive charged surface: 471.763  Negative charged surface: 303.347  Volume: 427.5
  Hydrophobic surface: 625.538  Hydrophilic surface: 149.572
 
 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.