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PUBCHEM-ZINC00314879

 MMsINC code: MMs02652748
Type: Neutral
Formula: C15H14FNO4S
SMILES:   S(=O)(=O)(Nc1ccccc1F)c1cc(cc(C)c1C)C(O)=O
InChI:   InChI=1/C15H14FNO4S/c1-9-7-11(15(18)19)8-14(10(9)2)22(20,21)17-13-6-4-3-5-12(13)16/h3-8,17H,1-2H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=68.8657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.344 g/mol  logS: -3.94549  SlogP: 2.94154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195912  Sterimol/B1: 2.3013  Sterimol/B2: 3.09882  Sterimol/B3: 6.07428
  Sterimol/B4: 7.12142  Sterimol/L: 12.5462 
 
 Surface and Volume Properties
  Accessible surface: 501.933  Positive charged surface: 243.946  Negative charged surface: 257.988  Volume: 271.5
  Hydrophobic surface: 334.27  Hydrophilic surface: 167.663
 
 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


MMs02652749
PUBCHEM-ZINC00314879