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MAYBRIDGE-ZINC01047273

 MMsINC code: MMs02156871
Type: Neutral
Formula: C12H8Cl3FN2O2S
SMILES:   Clc1cccc(F)c1NNS(=O)(=O)c1cc(Cl)c(Cl)cc1
InChI:   InChI=1/C12H8Cl3FN2O2S/c13-8-5-4-7(6-10(8)15)21(19,20)18-17-12-9(14)2-1-3-11(12)16/h1-6,17-18H

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Potential Energy
Epot(MMFF94)=126.446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.631 g/mol  logS: -5.5245  SlogP: 4.0913  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0823039  Sterimol/B1: 3.62918  Sterimol/B2: 3.99612  Sterimol/B3: 4.37089
  Sterimol/B4: 5.10293  Sterimol/L: 15.4379 
 
 Surface and Volume Properties
  Accessible surface: 518.356  Positive charged surface: 160.82  Negative charged surface: 357.536  Volume: 273.125
  Hydrophobic surface: 437.62  Hydrophilic surface: 80.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.