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PUBCHEM-ZINC00980254

 MMsINC code: MMs02748333
Type: Neutral
Formula: C26H28N2O6S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1cc(ccc1C)C(OC)=O)c1ccccc1OCC)c1ccc(cc1)
C
InChI:   InChI=1/C26H28N2O6S/c1-5-34-24-9-7-6-8-23(24)28(35(31,32)21-14-10-18(2)11-15-21)17-25(29)27-22-16-20(26(30)33-4)13-12-19(22)3/h6-16H,5,17H2,1-4H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=139.881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 496.584 g/mol  logS: -6.51244  SlogP: 4.32274  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.197482  Sterimol/B1: 3.30922  Sterimol/B2: 3.97848  Sterimol/B3: 7.05754
  Sterimol/B4: 8.10863  Sterimol/L: 19.3402 
 
 Surface and Volume Properties
  Accessible surface: 774.673  Positive charged surface: 493.372  Negative charged surface: 281.301  Volume: 462.125
  Hydrophobic surface: 665.893  Hydrophilic surface: 108.78
 
 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.