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NCID-ZINC01573375

 MMsINC code: MMs02232844
Type: Neutral
Formula: C8H7F3OS
SMILES:   S(OCC(F)(F)F)c1ccccc1
InChI:   InChI=1/C8H7F3OS/c9-8(10,11)6-12-13-7-4-2-1-3-5-7/h1-5H,6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.7939 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.203 g/mol  logS: -3.74383  SlogP: 3.6925  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0737936  Sterimol/B1: 2.55716  Sterimol/B2: 3.62383  Sterimol/B3: 3.62449
  Sterimol/B4: 4.04429  Sterimol/L: 12.5951 
 
 Surface and Volume Properties
  Accessible surface: 385.606  Positive charged surface: 152.658  Negative charged surface: 232.949  Volume: 162.75
  Hydrophobic surface: 269.636  Hydrophilic surface: 115.97
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.