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PUBCHEM-ZINC06656195

 MMsINC code: MMs03835909
Type: Neutral
Formula: C11H14F3NO2S
SMILES:   S(=O)(=O)(N(CCCC)C)c1ccc(F)c(F)c1F
InChI:   InChI=1/C11H14F3NO2S/c1-3-4-7-15(2)18(16,17)9-6-5-8(12)10(13)11(9)14/h5-6H,3-4,7H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.17703 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.298 g/mol  logS: -3.22758  SlogP: 2.5245  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0855386  Sterimol/B1: 3.16172  Sterimol/B2: 3.57187  Sterimol/B3: 4.02689
  Sterimol/B4: 5.42755  Sterimol/L: 14.0418 
 
 Surface and Volume Properties
  Accessible surface: 457.879  Positive charged surface: 262.515  Negative charged surface: 195.364  Volume: 231.375
  Hydrophobic surface: 386.708  Hydrophilic surface: 71.171
 
 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.