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PUBCHEM-ZINC00674265

 MMsINC code: MMs02725165
Type: Neutral
Formula: C24H26N2O7S
SMILES:   S(=O)(=O)(Nc1ccc(OCC)cc1)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cc
1
InChI:   InChI=1/C24H26N2O7S/c1-5-33-19-10-6-18(7-11-19)26-34(28,29)20-12-8-17(9-13-20)25-24(27)16-14-21(30-2)23(32-4)22(15-16)31-3/h6-15,26H,5H2,1-4H3,(H,25,27)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=133.178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 486.545 g/mol  logS: -5.54544  SlogP: 4.1642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126934  Sterimol/B1: 2.08705  Sterimol/B2: 4.7906  Sterimol/B3: 6.39869
  Sterimol/B4: 11.15  Sterimol/L: 18.9222 
 
 Surface and Volume Properties
  Accessible surface: 786.809  Positive charged surface: 546.252  Negative charged surface: 240.557  Volume: 440.5
  Hydrophobic surface: 618.715  Hydrophilic surface: 168.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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.