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PUBCHEM-ZINC02040243

 MMsINC code: MMs02862658
Type: Neutral
Formula: C9H10F2O3S
SMILES:   S(OC(CF)CF)(=O)(=O)c1ccccc1
InChI:   InChI=1/C9H10F2O3S/c10-6-8(7-11)14-15(12,13)9-4-2-1-3-5-9/h1-5,8H,6-7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.9992 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.238 g/mol  logS: -2.42751  SlogP: 1.6995  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.195317  Sterimol/B1: 2.74242  Sterimol/B2: 3.46399  Sterimol/B3: 3.64814
  Sterimol/B4: 5.51081  Sterimol/L: 11.2538 
 
 Surface and Volume Properties
  Accessible surface: 389.161  Positive charged surface: 200.865  Negative charged surface: 188.296  Volume: 186.75
  Hydrophobic surface: 276.406  Hydrophilic surface: 112.755
 
 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.