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PUBCHEM-ZINC02686713

 MMsINC code: MMs02909989
Type: Neutral
Formula: C16H12F7NO2S2
SMILES:   S(C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1NS(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C16H12F7NO2S2/c1-10-6-8-11(9-7-10)28(25,26)24-12-4-2-3-5-13(12)27-16(22,23)14(17,18)15(19,20)21/h2-9,24H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.6795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 447.395 g/mol  logS: -7.08767  SlogP: 6.93802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201729  Sterimol/B1: 2.45559  Sterimol/B2: 2.88244  Sterimol/B3: 6.83162
  Sterimol/B4: 8.02966  Sterimol/L: 14.7492 
 
 Surface and Volume Properties
  Accessible surface: 587.146  Positive charged surface: 203.813  Negative charged surface: 383.333  Volume: 320.375
  Hydrophobic surface: 307.2  Hydrophilic surface: 279.946
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.