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NCID-ZINC01569179

 MMsINC code: MMs02229851
Type: Neutral
Formula: C14H10Cl4O2S
SMILES:   Clc1cc(Cl)ccc1OCSCOc1ccc(Cl)cc1Cl
InChI:   InChI=1/C14H10Cl4O2S/c15-9-1-3-13(11(17)5-9)19-7-21-8-20-14-4-2-10(16)6-12(14)18/h1-6H,7-8H2

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Potential Energy
Epot(MMFF94)=73.6088 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.11 g/mol  logS: -6.62002  SlogP: 6.4062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560518  Sterimol/B1: 2.5799  Sterimol/B2: 2.91474  Sterimol/B3: 4.06632
  Sterimol/B4: 6.29076  Sterimol/L: 17.4245 
 
 Surface and Volume Properties
  Accessible surface: 575.12  Positive charged surface: 198.273  Negative charged surface: 376.846  Volume: 298.75
  Hydrophobic surface: 522.005  Hydrophilic surface: 53.115
 
 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.