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PUBCHEM-ZINC03675959

 MMsINC code: MMs03038443
Type: Neutral
Formula: C17H15ClN2O3S
SMILES:   Clc1cc(ccc1)-c1[nH]c2c(cc(S(=O)(=O)N(C)C)cc2)c1C=O
InChI:   InChI=1/C17H15ClN2O3S/c1-20(2)24(22,23)13-6-7-16-14(9-13)15(10-21)17(19-16)11-4-3-5-12(18)8-11/h3-10,19H,1-2H3

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Potential Energy
Epot(MMFF94)=54.4244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 362.837 g/mol  logS: -4.72392  SlogP: 3.5511  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0611144  Sterimol/B1: 2.43024  Sterimol/B2: 2.64468  Sterimol/B3: 4.84598
  Sterimol/B4: 6.35809  Sterimol/L: 16.8908 
 
 Surface and Volume Properties
  Accessible surface: 574.703  Positive charged surface: 307.384  Negative charged surface: 261.476  Volume: 315.75
  Hydrophobic surface: 453.224  Hydrophilic surface: 121.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.