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MAYBRIDGE-ZINC01048732

 MMsINC code: MMs02157636
Type: Neutral
Formula: C19H19F6NO2S
SMILES:   S(=O)(=O)(Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(C)c(C)c(C)c(C)c1
C
InChI:   InChI=1/C19H19F6NO2S/c1-9-10(2)12(4)17(13(5)11(9)3)29(27,28)26-16-7-14(18(20,21)22)6-15(8-16)19(23,24)25/h6-8,26H,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=135.08 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 439.42 g/mol  logS: -6.90252  SlogP: 6.6901  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.213432  Sterimol/B1: 3.12379  Sterimol/B2: 3.66247  Sterimol/B3: 5.72655
  Sterimol/B4: 6.11828  Sterimol/L: 14.3872 
 
 Surface and Volume Properties
  Accessible surface: 562.499  Positive charged surface: 219.941  Negative charged surface: 342.558  Volume: 344
  Hydrophobic surface: 318.299  Hydrophilic surface: 244.2
 
 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.