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ASINEX-ZINC00785541

 MMsINC code: MMs00163598
Type: Neutral
Formula: C16H13ClN2O4S3
SMILES:   Clc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2sccc2)cc1
InChI:   InChI=1/C16H13ClN2O4S3/c17-14-4-1-2-5-15(14)19-25(20,21)13-9-7-12(8-10-13)18-26(22,23)16-6-3-11-24-16/h1-11,18-19H

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Potential Energy
Epot(MMFF94)=63.4477 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.941 g/mol  logS: -5.40786  SlogP: 4.0031  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142356  Sterimol/B1: 2.46877  Sterimol/B2: 3.72937  Sterimol/B3: 6.1468
  Sterimol/B4: 6.53498  Sterimol/L: 15.4616 
 
 Surface and Volume Properties
  Accessible surface: 598.761  Positive charged surface: 233.847  Negative charged surface: 364.914  Volume: 336.25
  Hydrophobic surface: 439.646  Hydrophilic surface: 159.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.