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PUBCHEM-ZINC00668877

 MMsINC code: MMs02724114
Type: Neutral
Formula: C20H18Cl2N2O4S2
SMILES:   Clc1ccc(S(=O)(=O)NCc2cc(ccc2)CNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChI:   InChI=1/C20H18Cl2N2O4S2/c21-17-4-8-19(9-5-17)29(25,26)23-13-15-2-1-3-16(12-15)14-24-30(27,28)20-10-6-18(22)7-11-20/h1-12,23-24H,13-14H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.6562 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 485.412 g/mol  logS: -6.06522  SlogP: 4.4832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0683952  Sterimol/B1: 2.53466  Sterimol/B2: 3.54496  Sterimol/B3: 4.83944
  Sterimol/B4: 9.73919  Sterimol/L: 20.0208 
 
 Surface and Volume Properties
  Accessible surface: 733.439  Positive charged surface: 295.296  Negative charged surface: 438.143  Volume: 397.375
  Hydrophobic surface: 567.471  Hydrophilic surface: 165.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.