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ENAMINE-ZINC06549395

 MMsINC code: MMs01670596
Type: Neutral
Formula: C15H11F6NO2S
SMILES:   S(=O)(=O)(NCc1cc(ccc1)C(F)(F)F)c1ccccc1C(F)(F)F
InChI:   InChI=1/C15H11F6NO2S/c16-14(17,18)11-5-3-4-10(8-11)9-22-25(23,24)13-7-2-1-6-12(13)15(19,20)21/h1-8,22H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=48.7245 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.312 g/mol  logS: -5.10386  SlogP: 5.0921  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102887  Sterimol/B1: 2.17062  Sterimol/B2: 4.32494  Sterimol/B3: 4.42997
  Sterimol/B4: 5.80884  Sterimol/L: 15.248 
 
 Surface and Volume Properties
  Accessible surface: 526.002  Positive charged surface: 181.476  Negative charged surface: 344.526  Volume: 281.5
  Hydrophobic surface: 284.096  Hydrophilic surface: 241.906
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.