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PUBCHEM-ZINC06426125

 MMsINC code: MMs03725665
Type: Neutral
Formula: C26H23ClN2O5
SMILES:   Clc1cc(C(NC(=O)COc2ccccc2)c2cc(OC)c(OC)cc2)c(O)c2ncccc12
InChI:   InChI=1/C26H23ClN2O5/c1-32-21-11-10-16(13-22(21)33-2)24(29-23(30)15-34-17-7-4-3-5-8-17)19-14-20(27)18-9-6-12-28-25(18)26(19)31/h3-14,24,31H,15H2,1-2H3,(H,29,30)/t24-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=154.526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 478.932 g/mol  logS: -6.20527  SlogP: 4.9911  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.163622  Sterimol/B1: 2.33644  Sterimol/B2: 2.50577  Sterimol/B3: 7.35456
  Sterimol/B4: 11.4851  Sterimol/L: 18.7249 
 
 Surface and Volume Properties
  Accessible surface: 765.964  Positive charged surface: 483.874  Negative charged surface: 277.608  Volume: 436.875
  Hydrophobic surface: 658.144  Hydrophilic surface: 107.82
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.