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ASINEX-ZINC00609615

 MMsINC code: MMs00140580
Type: Neutral
Formula: C13H17ClN2O4S
SMILES:   Clc1ccc(S(=O)(=O)NC(C(=O)N2CCOCC2)C)cc1
InChI:   InChI=1/C13H17ClN2O4S/c1-10(13(17)16-6-8-20-9-7-16)15-21(18,19)12-4-2-11(14)3-5-12/h2-5,10,15H,6-9H2,1H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=51.2818 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 332.808 g/mol  logS: -2.64242  SlogP: 0.8656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0950811  Sterimol/B1: 2.41453  Sterimol/B2: 4.5631  Sterimol/B3: 4.99454
  Sterimol/B4: 5.3484  Sterimol/L: 15.1725 
 
 Surface and Volume Properties
  Accessible surface: 516.955  Positive charged surface: 285.735  Negative charged surface: 231.221  Volume: 280.875
  Hydrophobic surface: 380.445  Hydrophilic surface: 136.51
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.