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ENAMINE-ZINC06452432

 MMsINC code: MMs01663455
Type: Neutral
Formula: C8H8F3NO2S
SMILES:   S(=O)(=O)(NC)c1ccccc1C(F)(F)F
InChI:   InChI=1/C8H8F3NO2S/c1-12-15(13,14)7-5-3-2-4-6(7)8(9,10)11/h2-5,12H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.7309 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.217 g/mol  logS: -2.27941  SlogP: 1.925  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.231112  Sterimol/B1: 2.16628  Sterimol/B2: 3.14118  Sterimol/B3: 5.05954
  Sterimol/B4: 5.44714  Sterimol/L: 10.0805 
 
 Surface and Volume Properties
  Accessible surface: 363.322  Positive charged surface: 173.798  Negative charged surface: 189.524  Volume: 175.75
  Hydrophobic surface: 215.009  Hydrophilic surface: 148.313
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.