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ASINEX-ZINC02828885

 MMsINC code: MMs00278731
Type: Neutral
Formula: C16H22Cl2N2O4S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N1CCC(CC1)C(=O)NCCCOC
InChI:   InChI=1/C16H22Cl2N2O4S/c1-24-10-2-7-19-16(21)12-5-8-20(9-6-12)25(22,23)15-11-13(17)3-4-14(15)18/h3-4,11-12H,2,5-10H2,1H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=33.7293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 409.334 g/mol  logS: -3.59286  SlogP: 2.5468  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0359275  Sterimol/B1: 3.17364  Sterimol/B2: 4.36041  Sterimol/B3: 4.39683
  Sterimol/B4: 5.40204  Sterimol/L: 20.3555 
 
 Surface and Volume Properties
  Accessible surface: 641.088  Positive charged surface: 392.498  Negative charged surface: 248.59  Volume: 349.25
  Hydrophobic surface: 541.724  Hydrophilic surface: 99.364
 
 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: 1
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Ions/Tautomers related molecules: no related molecules available.