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PUBCHEM-ZINC02742433

 MMsINC code: MMs02914748
Type: Neutral
Formula: C16H8F5N3O3S2
SMILES:   s1ccnc1NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
InChI:   InChI=1/C16H8F5N3O3S2/c17-10-9(11(18)13(20)14(21)12(10)19)15(25)23-7-1-3-8(4-2-7)29(26,27)24-16-22-5-6-28-16/h1-6H,(H,22,24)(H,23,25)

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Potential Energy
Epot(MMFF94)=55.6931 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 449.38 g/mol  logS: -5.96298  SlogP: 3.8917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0772948  Sterimol/B1: 3.5726  Sterimol/B2: 3.70474  Sterimol/B3: 4.28673
  Sterimol/B4: 6.45708  Sterimol/L: 17.2036 
 
 Surface and Volume Properties
  Accessible surface: 601.216  Positive charged surface: 247.365  Negative charged surface: 353.852  Volume: 316.75
  Hydrophobic surface: 449.933  Hydrophilic surface: 151.283
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.