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PUBCHEM-ZINC02853439

 MMsINC code: MMs02939773
Type: Neutral
Formula: C16H12Cl2N2O4S3
SMILES:   Clc1c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3sccc3)cc2)cccc1Cl
InChI:   InChI=1/C16H12Cl2N2O4S3/c17-13-3-1-4-14(16(13)18)20-26(21,22)12-8-6-11(7-9-12)19-27(23,24)15-5-2-10-25-15/h1-10,19-20H

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Potential Energy
Epot(MMFF94)=68.0205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 463.386 g/mol  logS: -6.14215  SlogP: 4.6565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143762  Sterimol/B1: 2.48461  Sterimol/B2: 3.91965  Sterimol/B3: 6.22423
  Sterimol/B4: 6.42169  Sterimol/L: 16.3542 
 
 Surface and Volume Properties
  Accessible surface: 617.545  Positive charged surface: 217.523  Negative charged surface: 400.021  Volume: 350.125
  Hydrophobic surface: 460.68  Hydrophilic surface: 156.865
 
 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: 0
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Ions/Tautomers related molecules: no related molecules available.