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PUBCHEM-ZINC05557824

 MMsINC code: MMs03306350
Type: Neutral
Formula: C8H5Cl2N3O2S2
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)Nc1scnn1
InChI:   InChI=1/C8H5Cl2N3O2S2/c9-5-1-2-6(10)7(3-5)17(14,15)13-8-12-11-4-16-8/h1-4H,(H,12,13)

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Potential Energy
Epot(MMFF94)=2.54778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.185 g/mol  logS: -4.45351  SlogP: 2.6457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.238295  Sterimol/B1: 3.08113  Sterimol/B2: 3.83738  Sterimol/B3: 4.80086
  Sterimol/B4: 5.6532  Sterimol/L: 11.153 
 
 Surface and Volume Properties
  Accessible surface: 436.984  Positive charged surface: 140.557  Negative charged surface: 296.428  Volume: 219.5
  Hydrophobic surface: 292.427  Hydrophilic surface: 144.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.