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PUBCHEM-ZINC01160834

 MMsINC code: MMs02780946
Type: Neutral
Formula: C23H22Cl2N2O3S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccccc1
InChI:   InChI=1/C23H22Cl2N2O3S/c24-20-11-12-21(25)22(15-20)31(29,30)27(14-13-18-7-3-1-4-8-18)17-23(28)26-16-19-9-5-2-6-10-19/h1-12,15H,13-14,16-17H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=77.6164 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 477.412 g/mol  logS: -6.53686  SlogP: 4.80957  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0860421  Sterimol/B1: 2.67136  Sterimol/B2: 2.81173  Sterimol/B3: 5.84531
  Sterimol/B4: 11.0399  Sterimol/L: 17.9665 
 
 Surface and Volume Properties
  Accessible surface: 722.518  Positive charged surface: 352.254  Negative charged surface: 370.263  Volume: 419.875
  Hydrophobic surface: 640.623  Hydrophilic surface: 81.895
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.