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NCID-ZINC05411115

 MMsINC code: MMs02460137
Type: Neutral
Formula: C4H4F6O3S
SMILES:   S(OCC(F)(F)F)(OCC(F)(F)F)=O
InChI:   InChI=1/C4H4F6O3S/c5-3(6,7)1-12-14(11)13-2-4(8,9)10/h1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.0685 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.127 g/mol  logS: -2.52629  SlogP: 2.5627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0596417  Sterimol/B1: 2.50685  Sterimol/B2: 2.86505  Sterimol/B3: 3.08062
  Sterimol/B4: 3.57483  Sterimol/L: 12.6269 
 
 Surface and Volume Properties
  Accessible surface: 366.976  Positive charged surface: 106.094  Negative charged surface: 260.882  Volume: 141.25
  Hydrophobic surface: 76.8379  Hydrophilic surface: 290.1381
 
 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.