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ENAMINE-ZINC03485056

 MMsINC code: MMs01467930
Type: Neutral
Formula: C24H26N2O6S
SMILES:   S(=O)(=O)(N(C)C)c1ccc(cc1)C(OCC(=O)c1cc(n(c1C)-c1ccc(OC)cc1)
C)=O
InChI:   InChI=1/C24H26N2O6S/c1-16-14-22(17(2)26(16)19-8-10-20(31-5)11-9-19)23(27)15-32-24(28)18-6-12-21(13-7-18)33(29,30)25(3)4/h6-14H,15H2,1-5H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=116.506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.546 g/mol  logS: -4.61767  SlogP: 3.39274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0217283  Sterimol/B1: 2.14391  Sterimol/B2: 2.94852  Sterimol/B3: 4.59761
  Sterimol/B4: 7.70251  Sterimol/L: 24.3592 
 
 Surface and Volume Properties
  Accessible surface: 772.646  Positive charged surface: 495.841  Negative charged surface: 276.805  Volume: 433.875
  Hydrophobic surface: 631.689  Hydrophilic surface: 140.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.