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NCID-ZINC01648597

 MMsINC code: MMs02288740
Type: Neutral
Formula: C8H4Cl6S
SMILES:   Clc1cc(Cl)c(Cl)cc1SC(Cl)C(Cl)Cl
InChI:   InChI=1/C8H4Cl6S/c9-3-1-5(11)6(2-4(3)10)15-8(14)7(12)13/h1-2,7-8H/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=43.8765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.904 g/mol  logS: -6.66645  SlogP: 6.9473  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.067951  Sterimol/B1: 2.94618  Sterimol/B2: 3.28912  Sterimol/B3: 3.97863
  Sterimol/B4: 5.83451  Sterimol/L: 13.4173 
 
 Surface and Volume Properties
  Accessible surface: 461.855  Positive charged surface: 72.2288  Negative charged surface: 389.626  Volume: 237.375
  Hydrophobic surface: 273.675  Hydrophilic surface: 188.18
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.