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PUBCHEM-ZINC05135069

 MMsINC code: MMs03209897
Type: Neutral
Formula: C16H16FNO4S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1C)c1cc(cc(C)c1C)C(O)=O
InChI:   InChI=1/C16H16FNO4S/c1-9-6-12(16(19)20)8-15(11(9)3)23(21,22)18-14-5-4-13(17)7-10(14)2/h4-8,18H,1-3H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=58.8361 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.371 g/mol  logS: -4.10596  SlogP: 3.24996  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.287599  Sterimol/B1: 3.05491  Sterimol/B2: 3.11537  Sterimol/B3: 5.77316
  Sterimol/B4: 6.85456  Sterimol/L: 11.5199 
 
 Surface and Volume Properties
  Accessible surface: 521.06  Positive charged surface: 264.605  Negative charged surface: 256.455  Volume: 289.75
  Hydrophobic surface: 354.112  Hydrophilic surface: 166.948
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs03209898
PUBCHEM-ZINC05135069