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PUBCHEM-ZINC01051709

 MMsINC code: MMs02761374
Type: Neutral
Formula: C26H26N2O4S
SMILES:   S(=O)(=O)(N(Cc1ccccc1)C)c1ccc(NC(=O)c2oc3c(cc(cc3)CC)c2C)cc1
InChI:   InChI=1/C26H26N2O4S/c1-4-19-10-15-24-23(16-19)18(2)25(32-24)26(29)27-21-11-13-22(14-12-21)33(30,31)28(3)17-20-8-6-5-7-9-20/h5-16H,4,17H2,1-3H3,(H,27,29)

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Potential Energy
Epot(MMFF94)=84.6438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.57 g/mol  logS: -7.78419  SlogP: 5.64299  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0244939  Sterimol/B1: 3.8093  Sterimol/B2: 3.88526  Sterimol/B3: 4.25842
  Sterimol/B4: 4.78598  Sterimol/L: 24.7282 
 
 Surface and Volume Properties
  Accessible surface: 763.481  Positive charged surface: 461.298  Negative charged surface: 296.618  Volume: 437.875
  Hydrophobic surface: 644.562  Hydrophilic surface: 118.919
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.