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ENAMINE-ZINC03213836

 MMsINC code: MMs01308590
Type: Neutral
Formula: C23H20Cl2N2O4S
SMILES:   Clc1cc(Cl)c(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1-c1ccccc1
InChI:   InChI=1/C23H20Cl2N2O4S/c24-19-15-20(25)22(32(29,30)27-10-12-31-13-11-27)14-18(19)23(28)26-21-9-5-4-8-17(21)16-6-2-1-3-7-16/h1-9,14-15H,10-13H2,(H,26,28)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=129.625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 491.395 g/mol  logS: -7.45487  SlogP: 4.9336  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0443446  Sterimol/B1: 2.47674  Sterimol/B2: 3.05748  Sterimol/B3: 4.36579
  Sterimol/B4: 10.5822  Sterimol/L: 17.637 
 
 Surface and Volume Properties
  Accessible surface: 669.416  Positive charged surface: 345.868  Negative charged surface: 319.592  Volume: 415.625
  Hydrophobic surface: 587.096  Hydrophilic surface: 82.32
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0
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Ions/Tautomers related molecules: no related molecules available.