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PUBCHEM-ZINC05134720

 MMsINC code: MMs03209696
Type: Neutral
Formula: C16H16FNO4S
SMILES:   S(=O)(=O)(Nc1cc(F)ccc1C)c1cc(cc(C)c1C)C(O)=O
InChI:   InChI=1/C16H16FNO4S/c1-9-4-5-13(17)8-14(9)18-23(21,22)15-7-12(16(19)20)6-10(2)11(15)3/h4-8,18H,1-3H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=57.1315 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: 0.285341  Sterimol/B1: 3.07103  Sterimol/B2: 3.14545  Sterimol/B3: 5.78887
  Sterimol/B4: 7.03906  Sterimol/L: 11.5354 
 
 Surface and Volume Properties
  Accessible surface: 520.987  Positive charged surface: 263.172  Negative charged surface: 257.814  Volume: 290.75
  Hydrophobic surface: 353.284  Hydrophilic surface: 167.703
 
 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


MMs03209697
PUBCHEM-ZINC05134720