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MAYBRIDGE-ZINC00116276

 MMsINC code: MMs02134326
Type: Neutral
Formula: C12H10ClNO4S2
SMILES:   Clc1ccc(NS(=O)(=O)c2ccsc2C(OC)=O)cc1
InChI:   InChI=1/C12H10ClNO4S2/c1-18-12(15)11-10(6-7-19-11)20(16,17)14-9-4-2-8(13)3-5-9/h2-7,14H,1H3

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Potential Energy
Epot(MMFF94)=47.6937 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 331.8 g/mol  logS: -3.96941  SlogP: 2.9889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.205091  Sterimol/B1: 2.30385  Sterimol/B2: 3.11159  Sterimol/B3: 5.53833
  Sterimol/B4: 7.64923  Sterimol/L: 13.7183 
 
 Surface and Volume Properties
  Accessible surface: 500.384  Positive charged surface: 223.642  Negative charged surface: 276.743  Volume: 260.75
  Hydrophobic surface: 402.438  Hydrophilic surface: 97.946
 
 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.