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PUBCHEM-ZINC01108839

 MMsINC code: MMs02771743
Type: Neutral
Formula: C16H17ClN2O4S
SMILES:   Clc1cc(C)c(OCC(=O)N)cc1S(=O)(=O)Nc1ccccc1C
InChI:   InChI=1/C16H17ClN2O4S/c1-10-5-3-4-6-13(10)19-24(21,22)15-8-14(23-9-16(18)20)11(2)7-12(15)17/h3-8,19H,9H2,1-2H3,(H2,18,20)

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Potential Energy
Epot(MMFF94)=68.0382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.841 g/mol  logS: -4.43089  SlogP: 2.62174  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.152798  Sterimol/B1: 4.23164  Sterimol/B2: 4.52516  Sterimol/B3: 5.05239
  Sterimol/B4: 5.96127  Sterimol/L: 14.4148 
 
 Surface and Volume Properties
  Accessible surface: 575.018  Positive charged surface: 295.774  Negative charged surface: 279.244  Volume: 315.375
  Hydrophobic surface: 392.113  Hydrophilic surface: 182.905
 
 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.