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PUBCHEM-ZINC00994053

 MMsINC code: MMs02751901
Type: Neutral
Formula: C8H9F2NO2S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1F)CC
InChI:   InChI=1/C8H9F2NO2S/c1-2-14(12,13)11-8-4-3-6(9)5-7(8)10/h3-5,11H,2H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.5082 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.227 g/mol  logS: -2.14003  SlogP: 1.7264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156214  Sterimol/B1: 2.47749  Sterimol/B2: 3.12224  Sterimol/B3: 4.40096
  Sterimol/B4: 4.77001  Sterimol/L: 11.3688 
 
 Surface and Volume Properties
  Accessible surface: 380.084  Positive charged surface: 179.804  Negative charged surface: 200.28  Volume: 175
  Hydrophobic surface: 278.445  Hydrophilic surface: 101.639
 
 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.