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NCID-ZINC05411119

 MMsINC code: MMs02460138
Type: Neutral
Formula: C4H4F6O2S
SMILES:   S(OCC(F)(F)F)OCC(F)(F)F
InChI:   InChI=1/C4H4F6O2S/c5-3(6,7)1-11-13-12-2-4(8,9)10/h1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=50.9922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.128 g/mol  logS: -3.25752  SlogP: 3.5472  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0521094  Sterimol/B1: 2.47175  Sterimol/B2: 2.63787  Sterimol/B3: 2.63835
  Sterimol/B4: 3.34125  Sterimol/L: 12.6269 
 
 Surface and Volume Properties
  Accessible surface: 360.68  Positive charged surface: 128.564  Negative charged surface: 232.116  Volume: 136.125
  Hydrophobic surface: 118.787  Hydrophilic surface: 241.893
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.