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CHEMDIV-ZINC06916767

 MMsINC code: MMs01061558
Type: Neutral
Formula: C13H12ClNO4S2
SMILES:   Clc1cc(ccc1NS(=O)(=O)c1ccsc1C(OC)=O)C
InChI:   InChI=1/C13H12ClNO4S2/c1-8-3-4-10(9(14)7-8)15-21(17,18)11-5-6-20-12(11)13(16)19-2/h3-7,15H,1-2H3

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Potential Energy
Epot(MMFF94)=57.4526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.827 g/mol  logS: -4.44333  SlogP: 3.29732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.172029  Sterimol/B1: 2.50175  Sterimol/B2: 5.09604  Sterimol/B3: 5.7958
  Sterimol/B4: 5.98092  Sterimol/L: 13.8714 
 
 Surface and Volume Properties
  Accessible surface: 522.215  Positive charged surface: 249.667  Negative charged surface: 272.548  Volume: 276.375
  Hydrophobic surface: 433.234  Hydrophilic surface: 88.981
 
 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.