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PUBCHEM-ZINC00618595

 MMsINC code: MMs02714038
Type: Neutral
Formula: C13H19ClN2O4S
SMILES:   Clc1cc(C)c(OCC(=O)N)cc1S(=O)(=O)NC(C)(C)C
InChI:   InChI=1/C13H19ClN2O4S/c1-8-5-9(14)11(6-10(8)20-7-12(15)17)21(18,19)16-13(2,3)4/h5-6,16H,7H2,1-4H3,(H2,15,17)

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Potential Energy
Epot(MMFF94)=50.8492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.824 g/mol  logS: -3.42819  SlogP: 1.58932  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141877  Sterimol/B1: 2.52786  Sterimol/B2: 2.97723  Sterimol/B3: 5.64931
  Sterimol/B4: 7.9354  Sterimol/L: 13.418 
 
 Surface and Volume Properties
  Accessible surface: 524.581  Positive charged surface: 300.154  Negative charged surface: 224.427  Volume: 287.875
  Hydrophobic surface: 301.174  Hydrophilic surface: 223.407
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.