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ENAMINE-ZINC00453223

 MMsINC code: MMs01230956
Type: Neutral
Formula: C8H7F3O2S
SMILES:   S(=O)(=O)(C(F)(F)F)c1ccc(cc1)C
InChI:   InChI=1/C8H7F3O2S/c1-6-2-4-7(5-3-6)14(12,13)8(9,10)11/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=63.1018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.202 g/mol  logS: -3.13844  SlogP: 2.70842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0988308  Sterimol/B1: 2.78104  Sterimol/B2: 3.53258  Sterimol/B3: 3.61686
  Sterimol/B4: 3.61851  Sterimol/L: 11.608 
 
 Surface and Volume Properties
  Accessible surface: 366.802  Positive charged surface: 125.637  Negative charged surface: 241.165  Volume: 165.375
  Hydrophobic surface: 205.812  Hydrophilic surface: 160.99
 
 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.