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PUBCHEM-ZINC00933236

 MMsINC code: MMs02743649
Type: Neutral
Formula: C23H28N2O6S3
SMILES:   s1cccc1CN(S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1)CCc1cc(OC)c(OC)c
c1
InChI:   InChI=1/C23H28N2O6S3/c1-24(2)33(26,27)20-8-10-21(11-9-20)34(28,29)25(17-19-6-5-15-32-19)14-13-18-7-12-22(30-3)23(16-18)31-4/h5-12,15-16H,13-14,17H2,1-4H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.2006 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 524.683 g/mol  logS: -4.7167  SlogP: 3.71557  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0886234  Sterimol/B1: 2.64862  Sterimol/B2: 3.80676  Sterimol/B3: 5.7965
  Sterimol/B4: 9.05819  Sterimol/L: 19.1636 
 
 Surface and Volume Properties
  Accessible surface: 755.902  Positive charged surface: 497.024  Negative charged surface: 258.877  Volume: 463.875
  Hydrophobic surface: 629.722  Hydrophilic surface: 126.18
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  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: 1
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Ions/Tautomers related molecules: no related molecules available.