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CHEMBRIDGE-ZINC01164175

 MMsINC code: MMs00677008
Type: Neutral
Formula: C13H10Cl3NO2S
SMILES:   Clc1c2c(sc1C(=O)N1CCOCC1)cc(Cl)cc2Cl
InChI:   InChI=1/C13H10Cl3NO2S/c14-7-5-8(15)10-9(6-7)20-12(11(10)16)13(18)17-1-3-19-4-2-17/h5-6H,1-4H2

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Potential Energy
Epot(MMFF94)=80.5036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.653 g/mol  logS: -5.57272  SlogP: 4.3339  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628741  Sterimol/B1: 2.55141  Sterimol/B2: 2.70121  Sterimol/B3: 3.99242
  Sterimol/B4: 6.38932  Sterimol/L: 15.2158 
 
 Surface and Volume Properties
  Accessible surface: 498.609  Positive charged surface: 230.826  Negative charged surface: 262.85  Volume: 271.875
  Hydrophobic surface: 458.449  Hydrophilic surface: 40.16
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.