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PUBCHEM-ZINC01022044

 MMsINC code: MMs02759230
Type: Neutral
Formula: C15H14FNO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(OCC)=O)c1ccc(F)cc1
InChI:   InChI=1/C15H14FNO4S/c1-2-21-15(18)13-5-3-4-6-14(13)17-22(19,20)12-9-7-11(16)8-10-12/h3-10,17H,2H2,1H3

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Potential Energy
Epot(MMFF94)=52.9932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.344 g/mol  logS: -4.05064  SlogP: 2.8032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212694  Sterimol/B1: 3.70427  Sterimol/B2: 4.10486  Sterimol/B3: 5.58383
  Sterimol/B4: 6.73466  Sterimol/L: 13.0787 
 
 Surface and Volume Properties
  Accessible surface: 526.75  Positive charged surface: 283.093  Negative charged surface: 243.657  Volume: 277.375
  Hydrophobic surface: 408.158  Hydrophilic surface: 118.592
 
 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.