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APOLLO-ZINC02560224

 MMsINC code: MMs00053830
Type: Neutral
Formula: C8H5F3OS
SMILES:   S(C(F)(F)F)c1ccccc1C=O
InChI:   InChI=1/C8H5F3OS/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-5H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.5375 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.187 g/mol  logS: -3.55134  SlogP: 3.5309  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0311192  Sterimol/B1: 2.63694  Sterimol/B2: 2.63917  Sterimol/B3: 3.02281
  Sterimol/B4: 5.8839  Sterimol/L: 10.3333 
 
 Surface and Volume Properties
  Accessible surface: 342.688  Positive charged surface: 119.674  Negative charged surface: 223.014  Volume: 155.625
  Hydrophobic surface: 151.329  Hydrophilic surface: 191.359
 
 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.