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PUBCHEM-ZINC02160368

 MMsINC code: MMs02877871
Type: Neutral
Formula: C9H8F4O3S
SMILES:   S(OCC(F)(F)C(F)F)(=O)(=O)c1ccccc1
InChI:   InChI=1/C9H8F4O3S/c10-8(11)9(12,13)6-16-17(14,15)7-4-2-1-3-5-7/h1-5,8H,6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.8125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.218 g/mol  logS: -3.01158  SlogP: 3.1321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.236314  Sterimol/B1: 2.96392  Sterimol/B2: 3.43379  Sterimol/B3: 4.63258
  Sterimol/B4: 5.42211  Sterimol/L: 11.22 
 
 Surface and Volume Properties
  Accessible surface: 410.476  Positive charged surface: 142.605  Negative charged surface: 267.871  Volume: 194.625
  Hydrophobic surface: 209.46  Hydrophilic surface: 201.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.