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PUBCHEM-ZINC01059781

 MMsINC code: MMs02762410
Type: Neutral
Formula: C20H23ClN2O5S
SMILES:   Clc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCc1ccc(OC)cc1
InChI:   InChI=1/C20H23ClN2O5S/c1-27-16-6-4-15(5-7-16)13-22-20(24)14-28-19-9-8-17(12-18(19)21)29(25,26)23-10-2-3-11-23/h4-9,12H,2-3,10-11,13-14H2,1H3,(H,22,24)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.245 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.932 g/mol  logS: -4.62634  SlogP: 3.0947  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0387805  Sterimol/B1: 2.44691  Sterimol/B2: 4.07066  Sterimol/B3: 4.41587
  Sterimol/B4: 8.32885  Sterimol/L: 21.4193 
 
 Surface and Volume Properties
  Accessible surface: 723.047  Positive charged surface: 449.716  Negative charged surface: 273.331  Volume: 388.75
  Hydrophobic surface: 594.736  Hydrophilic surface: 128.311
 
 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.