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OAKWOOD-ZINC04290216

 MMsINC code: MMs02550875
Type: Neutral
Formula: C8H7F3O2S
SMILES:   S(=O)(=O)(C)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C8H7F3O2S/c1-14(12,13)7-4-2-3-6(5-7)8(9,10)11/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.2384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.202 g/mol  logS: -2.58212  SlogP: 2.4204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115248  Sterimol/B1: 2.08469  Sterimol/B2: 3.03  Sterimol/B3: 4.14921
  Sterimol/B4: 5.19116  Sterimol/L: 11.0147 
 
 Surface and Volume Properties
  Accessible surface: 364.799  Positive charged surface: 125.82  Negative charged surface: 238.979  Volume: 166.125
  Hydrophobic surface: 193.093  Hydrophilic surface: 171.706
 
 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.