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ASINEX-ZINC00823758

 MMsINC code: MMs00182031
Type: Neutral
Formula: C18H12Cl2O3S
SMILES:   Clc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1
InChI:   InChI=1/C18H12Cl2O3S/c19-13-1-5-15(6-2-13)23-16-7-11-18(12-8-16)24(21,22)17-9-3-14(20)4-10-17/h1-12H

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Potential Energy
Epot(MMFF94)=81.7756 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.263 g/mol  logS: -6.60072  SlogP: 5.6185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0939912  Sterimol/B1: 3.99456  Sterimol/B2: 3.99489  Sterimol/B3: 4.11895
  Sterimol/B4: 5.30835  Sterimol/L: 17.051 
 
 Surface and Volume Properties
  Accessible surface: 591.588  Positive charged surface: 217.39  Negative charged surface: 374.198  Volume: 320.5
  Hydrophobic surface: 532.975  Hydrophilic surface: 58.613
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.