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PUBCHEM-ZINC01129332

 MMsINC code: MMs02776023
Type: Neutral
Formula: C26H30N2O5S
SMILES:   S(=O)(=O)(N(Cc1ccccc1C)c1ccc(cc1)C(=O)NCCc1cc(OC)c(OC)cc1)C
InChI:   InChI=1/C26H30N2O5S/c1-19-7-5-6-8-22(19)18-28(34(4,30)31)23-12-10-21(11-13-23)26(29)27-16-15-20-9-14-24(32-2)25(17-20)33-3/h5-14,17H,15-16,18H2,1-4H3,(H,27,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=136.787 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.601 g/mol  logS: -5.61652  SlogP: 4.21729  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0362936  Sterimol/B1: 3.46784  Sterimol/B2: 3.88525  Sterimol/B3: 4.18251
  Sterimol/B4: 7.10577  Sterimol/L: 23.5346 
 
 Surface and Volume Properties
  Accessible surface: 777.377  Positive charged surface: 504.533  Negative charged surface: 272.843  Volume: 455.5
  Hydrophobic surface: 650.677  Hydrophilic surface: 126.7
 
 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.