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ENAMINE-ZINC00074683

 MMsINC code: MMs01223158
Type: Neutral
Formula: C14H10F3NO4S
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(O)=O)c1ccccc1C(F)(F)F
InChI:   InChI=1/C14H10F3NO4S/c15-14(16,17)11-3-1-2-4-12(11)23(21,22)18-10-7-5-9(6-8-10)13(19)20/h1-8,18H,(H,19,20)

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Potential Energy
Epot(MMFF94)=53.4325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.297 g/mol  logS: -4.07267  SlogP: 3.5159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.230139  Sterimol/B1: 2.67996  Sterimol/B2: 3.06438  Sterimol/B3: 5.35821
  Sterimol/B4: 6.60805  Sterimol/L: 12.7055 
 
 Surface and Volume Properties
  Accessible surface: 483.522  Positive charged surface: 211.458  Negative charged surface: 272.064  Volume: 261.125
  Hydrophobic surface: 251.215  Hydrophilic surface: 232.307
 
 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


MMs01223159
ENAMINE-ZINC00074683