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ASINEX-ZINC00831027

 MMsINC code: MMs00185338
Type: Neutral
Formula: C16H14Cl4N2O4S2
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
InChI:   InChI=1/C16H14Cl4N2O4S2/c17-11-1-3-13(19)15(9-11)27(23,24)21-5-7-22(8-6-21)28(25,26)16-10-12(18)2-4-14(16)20/h1-4,9-10H,5-8H2

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Potential Energy
Epot(MMFF94)=72.652 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 504.242 g/mol  logS: -6.09234  SlogP: 3.9954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0626833  Sterimol/B1: 3.2966  Sterimol/B2: 4.49401  Sterimol/B3: 4.49537
  Sterimol/B4: 4.7333  Sterimol/L: 18.4216 
 
 Surface and Volume Properties
  Accessible surface: 634.373  Positive charged surface: 227.163  Negative charged surface: 407.21  Volume: 371.25
  Hydrophobic surface: 531.945  Hydrophilic surface: 102.428
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1
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Ions/Tautomers related molecules: no related molecules available.