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ASINEX-ZINC00846291

 MMsINC code: MMs00190196
Type: Neutral
Formula: C15H13Cl2NO4S
SMILES:   Clc1ccc(cc1)CC(NS(=O)(=O)c1ccc(Cl)cc1)C(O)=O
InChI:   InChI=1/C15H13Cl2NO4S/c16-11-3-1-10(2-4-11)9-14(15(19)20)18-23(21,22)13-7-5-12(17)6-8-13/h1-8,14,18H,9H2,(H,19,20)/t14-/m1/s1

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Potential Energy
Epot(MMFF94)=35.4297 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.244 g/mol  logS: -4.51665  SlogP: 2.96757  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.334263  Sterimol/B1: 2.60856  Sterimol/B2: 2.98151  Sterimol/B3: 5.944
  Sterimol/B4: 6.51776  Sterimol/L: 12.9524 
 
 Surface and Volume Properties
  Accessible surface: 508.339  Positive charged surface: 210.226  Negative charged surface: 298.113  Volume: 304.375
  Hydrophobic surface: 354.671  Hydrophilic surface: 153.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs00190197
ASINEX-ZINC00846291