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ASINEX-ZINC00386132

 MMsINC code: MMs00128051
Type: Neutral
Formula: C17H19NO4S
SMILES:   S(=O)(=O)(CCC(=O)N1CCOCC1)c1cc2c(cc1)cccc2
InChI:   InChI=1/C17H19NO4S/c19-17(18-8-10-22-11-9-18)7-12-23(20,21)16-6-5-14-3-1-2-4-15(14)13-16/h1-6,13H,7-12H2

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Potential Energy
Epot(MMFF94)=65.9931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 333.408 g/mol  logS: -3.64343  SlogP: 1.8624  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0637723  Sterimol/B1: 2.77001  Sterimol/B2: 3.27131  Sterimol/B3: 4.80618
  Sterimol/B4: 5.03087  Sterimol/L: 17.8635 
 
 Surface and Volume Properties
  Accessible surface: 574.985  Positive charged surface: 354.076  Negative charged surface: 209.838  Volume: 302.5
  Hydrophobic surface: 475.662  Hydrophilic surface: 99.323
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.