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ASINEX-ZINC00249305

 MMsINC code: MMs00099182
Type: Neutral
Formula: C13H13ClN2O4S
SMILES:   Clc1ccc(nc1)NS(=O)(=O)c1cc(OC)c(OC)cc1
InChI:   InChI=1/C13H13ClN2O4S/c1-19-11-5-4-10(7-12(11)20-2)21(17,18)16-13-6-3-9(14)8-15-13/h3-8H,1-2H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=48.4472 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.776 g/mol  logS: -2.93489  SlogP: 2.553  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17643  Sterimol/B1: 2.40952  Sterimol/B2: 5.0542  Sterimol/B3: 5.53528
  Sterimol/B4: 5.84958  Sterimol/L: 13.5739 
 
 Surface and Volume Properties
  Accessible surface: 508.407  Positive charged surface: 288.425  Negative charged surface: 219.982  Volume: 271.5
  Hydrophobic surface: 400.788  Hydrophilic surface: 107.619
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.