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ASINEX-ZINC06679772

 MMsINC code: MMs00443782
Type: Neutral
Formula: C17H20N2O4S2
SMILES:   s1c(C)c(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccccc1
InChI:   InChI=1/C17H20N2O4S2/c1-13-16(25(21,22)19-7-9-23-10-8-19)11-15(24-13)17(20)18-12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=62.1798 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 380.489 g/mol  logS: -3.62401  SlogP: 2.27382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611682  Sterimol/B1: 2.4072  Sterimol/B2: 3.71872  Sterimol/B3: 4.74725
  Sterimol/B4: 6.53717  Sterimol/L: 18.0529 
 
 Surface and Volume Properties
  Accessible surface: 607.369  Positive charged surface: 356.136  Negative charged surface: 251.233  Volume: 334.875
  Hydrophobic surface: 492.864  Hydrophilic surface: 114.505
 
 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.