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PUBCHEM-ZINC03121643

 MMsINC code: MMs02996470
Type: Neutral
Formula: C12H6Cl5NO2S2
SMILES:   Clc1c(SNS(=O)(=O)c2ccccc2)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C12H6Cl5NO2S2/c13-7-8(14)10(16)12(11(17)9(7)15)21-18-22(19,20)6-4-2-1-3-5-6/h1-5,18H

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Potential Energy
Epot(MMFF94)=58.5474 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 437.582 g/mol  logS: -8.10461  SlogP: 5.9392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0935632  Sterimol/B1: 3.53422  Sterimol/B2: 4.06837  Sterimol/B3: 4.26806
  Sterimol/B4: 5.96826  Sterimol/L: 14.9933 
 
 Surface and Volume Properties
  Accessible surface: 557.099  Positive charged surface: 144.605  Negative charged surface: 412.494  Volume: 303.125
  Hydrophobic surface: 479.89  Hydrophilic surface: 77.209
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.