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PUBCHEM-ZINC03855739

 MMsINC code: MMs03077934
Type: Neutral
Formula: C13H10FNO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(O)=O)c1cc(F)ccc1
InChI:   InChI=1/C13H10FNO4S/c14-10-2-1-3-12(8-10)20(18,19)15-11-6-4-9(5-7-11)13(16)17/h1-8,15H,(H,16,17)

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Potential Energy
Epot(MMFF94)=32.1575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.29 g/mol  logS: -3.3111  SlogP: 2.3247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143006  Sterimol/B1: 2.97594  Sterimol/B2: 3.49229  Sterimol/B3: 4.2161
  Sterimol/B4: 5.81466  Sterimol/L: 13.3238 
 
 Surface and Volume Properties
  Accessible surface: 463.977  Positive charged surface: 224.973  Negative charged surface: 239.005  Volume: 241.625
  Hydrophobic surface: 285.241  Hydrophilic surface: 178.736
 
 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


MMs03077935
PUBCHEM-ZINC03855739