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ENAMINE-ZINC03220766

 MMsINC code: MMs01313198
Type: Neutral
Formula: C13H9F2NO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(O)=O)c1cc(F)ccc1F
InChI:   InChI=1/C13H9F2NO4S/c14-8-5-6-10(15)12(7-8)21(19,20)16-11-4-2-1-3-9(11)13(17)18/h1-7,16H,(H,17,18)

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Potential Energy
Epot(MMFF94)=32.48 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 313.28 g/mol  logS: -3.60608  SlogP: 2.4638  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.291261  Sterimol/B1: 3.07656  Sterimol/B2: 3.68082  Sterimol/B3: 4.92632
  Sterimol/B4: 5.40567  Sterimol/L: 12.1722 
 
 Surface and Volume Properties
  Accessible surface: 449.774  Positive charged surface: 216.403  Negative charged surface: 233.371  Volume: 243.125
  Hydrophobic surface: 301.462  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


MMs01313199
ENAMINE-ZINC03220766