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PUBCHEM-ZINC01473333

 MMsINC code: MMs02811355
Type: Neutral
Formula: C22H20Cl2N2O4S
SMILES:   Clc1cc(Cl)ccc1NC(=O)COc1ccc(N(S(=O)(=O)c2ccc(cc2)C)C)cc1
InChI:   InChI=1/C22H20Cl2N2O4S/c1-15-3-10-19(11-4-15)31(28,29)26(2)17-6-8-18(9-7-17)30-14-22(27)25-21-12-5-16(23)13-20(21)24/h3-13H,14H2,1-2H3,(H,25,27)

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Potential Energy
Epot(MMFF94)=115.247 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 479.384 g/mol  logS: -7.11161  SlogP: 5.14442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481715  Sterimol/B1: 2.2996  Sterimol/B2: 3.73548  Sterimol/B3: 5.16496
  Sterimol/B4: 8.65713  Sterimol/L: 22.2617 
 
 Surface and Volume Properties
  Accessible surface: 750.836  Positive charged surface: 368.347  Negative charged surface: 382.489  Volume: 413.25
  Hydrophobic surface: 653.549  Hydrophilic surface: 97.287
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.