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ASINEX-ZINC00917483

 MMsINC code: MMs00219298
Type: Neutral
Formula: C16H18N2O4S2
SMILES:   s1cccc1CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChI:   InChI=1/C16H18N2O4S2/c19-16(12-14-2-1-11-23-14)17-13-3-5-15(6-4-13)24(20,21)18-7-9-22-10-8-18/h1-6,11H,7-10,12H2,(H,17,19)

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Potential Energy
Epot(MMFF94)=79.6725 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.462 g/mol  logS: -3.42805  SlogP: 1.95017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.041624  Sterimol/B1: 3.24227  Sterimol/B2: 3.25584  Sterimol/B3: 4.44442
  Sterimol/B4: 5.53283  Sterimol/L: 17.8447 
 
 Surface and Volume Properties
  Accessible surface: 593.561  Positive charged surface: 360.145  Negative charged surface: 233.416  Volume: 316.25
  Hydrophobic surface: 486.855  Hydrophilic surface: 106.706
 
 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.