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PUBCHEM-ZINC01361333

 MMsINC code: MMs02799575
Type: Neutral
Formula: C17H19FN2O4S2
SMILES:   S(=O)(=O)(NC1CC1)c1ccc(S(=O)(=O)NC(C)c2ccc(F)cc2)cc1
InChI:   InChI=1/C17H19FN2O4S2/c1-12(13-2-4-14(18)5-3-13)19-25(21,22)16-8-10-17(11-9-16)26(23,24)20-15-6-7-15/h2-5,8-12,15,19-20H,6-7H2,1H3/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=23.6771 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.479 g/mol  logS: -4.00331  SlogP: 2.4014  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0668747  Sterimol/B1: 3.01181  Sterimol/B2: 4.15527  Sterimol/B3: 4.31536
  Sterimol/B4: 5.73631  Sterimol/L: 19.0687 
 
 Surface and Volume Properties
  Accessible surface: 616.782  Positive charged surface: 299.365  Negative charged surface: 317.417  Volume: 337.375
  Hydrophobic surface: 402.949  Hydrophilic surface: 213.833
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.