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ENAMINE-ZINC03431287

 MMsINC code: MMs01437781
Type: Neutral
Formula: C24H24N2O6S
SMILES:   S(=O)(=O)(Nc1ccccc1C(OCC(=O)Nc1ccccc1C)=O)c1ccc(OCC)cc1
InChI:   InChI=1/C24H24N2O6S/c1-3-31-18-12-14-19(15-13-18)33(29,30)26-22-11-7-5-9-20(22)24(28)32-16-23(27)25-21-10-6-4-8-17(21)2/h4-15,26H,3,16H2,1-2H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 468.53 g/mol  logS: -5.96294  SlogP: 3.99002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10964  Sterimol/B1: 2.09487  Sterimol/B2: 4.93157  Sterimol/B3: 5.51855
  Sterimol/B4: 9.9741  Sterimol/L: 19.2797 
 
 Surface and Volume Properties
  Accessible surface: 767.92  Positive charged surface: 452.478  Negative charged surface: 315.443  Volume: 426.75
  Hydrophobic surface: 601.275  Hydrophilic surface: 166.645
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.