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PUBCHEM-ZINC01119087

 MMsINC code: MMs02773774
Type: Neutral
Formula: C14H11Cl2NO4S
SMILES:   Clc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1C(OC)=O
InChI:   InChI=1/C14H11Cl2NO4S/c1-21-14(18)12-8-10(4-7-13(12)16)17-22(19,20)11-5-2-9(15)3-6-11/h2-8,17H,1H3

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Potential Energy
Epot(MMFF94)=55.3383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.217 g/mol  logS: -4.89703  SlogP: 3.5808  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237792  Sterimol/B1: 3.43032  Sterimol/B2: 4.02548  Sterimol/B3: 4.95735
  Sterimol/B4: 6.91438  Sterimol/L: 12.6407 
 
 Surface and Volume Properties
  Accessible surface: 545.517  Positive charged surface: 254.258  Negative charged surface: 291.259  Volume: 287.875
  Hydrophobic surface: 432.75  Hydrophilic surface: 112.767
 
 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.