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PUBCHEM-ZINC06357666

 MMsINC code: MMs03684013
Type: Neutral
Formula: C18H20FNO4S
SMILES:   S(=O)(=O)(NC(Cc1ccc(F)cc1)(C)C)c1ccccc1C(OC)=O
InChI:   InChI=1/C18H20FNO4S/c1-18(2,12-13-8-10-14(19)11-9-13)20-25(22,23)16-7-5-4-6-15(16)17(21)24-3/h4-11,20H,12H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.9049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.425 g/mol  logS: -4.38336  SlogP: 2.91187  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.236687  Sterimol/B1: 2.69681  Sterimol/B2: 5.21851  Sterimol/B3: 5.63166
  Sterimol/B4: 6.71949  Sterimol/L: 13.9039 
 
 Surface and Volume Properties
  Accessible surface: 555.394  Positive charged surface: 325.224  Negative charged surface: 230.171  Volume: 324.25
  Hydrophobic surface: 459.217  Hydrophilic surface: 96.177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.