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PUBCHEM-ZINC01168153

 MMsINC code: MMs02782020
Type: Neutral
Formula: C26H28N2O5S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C(=O)Nc1ccc(cc1)C(OCC)=O)c1cc(C)c(cc1
)C)C
InChI:   InChI=1/C26H28N2O5S/c1-5-33-26(30)22-11-13-23(14-12-22)27-25(29)21-9-7-20(8-10-21)17-28(34(4,31)32)24-15-6-18(2)19(3)16-24/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)=131.322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 480.585 g/mol  logS: -6.69311  SlogP: 4.96504  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0517226  Sterimol/B1: 3.73987  Sterimol/B2: 4.01172  Sterimol/B3: 4.75687
  Sterimol/B4: 7.8211  Sterimol/L: 21.3492 
 
 Surface and Volume Properties
  Accessible surface: 790.882  Positive charged surface: 453.408  Negative charged surface: 337.473  Volume: 454
  Hydrophobic surface: 620.364  Hydrophilic surface: 170.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.