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ENAMINE-ZINC00074635

 MMsINC code: MMs01223144
Type: Neutral
Formula: C13H10FNO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(O)=O)c1ccccc1F
InChI:   InChI=1/C13H10FNO4S/c14-10-6-2-4-8-12(10)20(18,19)15-11-7-3-1-5-9(11)13(16)17/h1-8,15H,(H,16,17)

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Potential Energy
Epot(MMFF94)=36.155 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: 0.294892  Sterimol/B1: 3.05556  Sterimol/B2: 3.68476  Sterimol/B3: 4.93877
  Sterimol/B4: 5.39494  Sterimol/L: 11.9036 
 
 Surface and Volume Properties
  Accessible surface: 445.542  Positive charged surface: 228.999  Negative charged surface: 216.543  Volume: 239.875
  Hydrophobic surface: 297.23  Hydrophilic surface: 148.312
 
 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


MMs01223145
ENAMINE-ZINC00074635