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PUBCHEM-ZINC00732285

 MMsINC code: MMs02733998
Type: Neutral
Formula: C16H15ClO4S
SMILES:   Clc1ccc(S(=O)(=O)CCC(=O)c2ccc(OC)cc2)cc1
InChI:   InChI=1/C16H15ClO4S/c1-21-14-6-2-12(3-7-14)16(18)10-11-22(19,20)15-8-4-13(17)5-9-15/h2-9H,10-11H2,1H3

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Potential Energy
Epot(MMFF94)=63.5623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 338.811 g/mol  logS: -4.29141  SlogP: 3.3953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0397995  Sterimol/B1: 2.82161  Sterimol/B2: 3.6177  Sterimol/B3: 3.61995
  Sterimol/B4: 5.37593  Sterimol/L: 19.9337 
 
 Surface and Volume Properties
  Accessible surface: 575.612  Positive charged surface: 290.26  Negative charged surface: 285.351  Volume: 293.875
  Hydrophobic surface: 477.259  Hydrophilic surface: 98.353
 
 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.