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ENAMINE-ZINC03201599

 MMsINC code: MMs01304515
Type: Neutral
Formula: C13H9F2NO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(O)=O)c1cc(F)c(F)cc1
InChI:   InChI=1/C13H9F2NO4S/c14-10-6-5-8(7-11(10)15)21(19,20)16-12-4-2-1-3-9(12)13(17)18/h1-7,16H,(H,17,18)

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Potential Energy
Epot(MMFF94)=45.1729 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: 0.324533  Sterimol/B1: 3.01645  Sterimol/B2: 3.32492  Sterimol/B3: 5.35248
  Sterimol/B4: 6.41286  Sterimol/L: 10.7401 
 
 Surface and Volume Properties
  Accessible surface: 462.907  Positive charged surface: 207.957  Negative charged surface: 254.95  Volume: 241.125
  Hydrophobic surface: 308.246  Hydrophilic surface: 154.661
 
 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


MMs01304516
ENAMINE-ZINC03201599