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ENAMINE-ZINC02550768

 MMsINC code: MMs01251814
Type: Neutral
Formula: C14H10F3NO4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(O)=O)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C14H10F3NO4S/c15-14(16,17)9-4-3-5-10(8-9)23(21,22)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20)

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Potential Energy
Epot(MMFF94)=61.4562 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: 0.303018  Sterimol/B1: 2.42308  Sterimol/B2: 3.51753  Sterimol/B3: 5.17113
  Sterimol/B4: 6.92167  Sterimol/L: 11.1109 
 
 Surface and Volume Properties
  Accessible surface: 487.456  Positive charged surface: 200.715  Negative charged surface: 286.741  Volume: 262.125
  Hydrophobic surface: 238.193  Hydrophilic surface: 249.263
 
 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


MMs01251815
ENAMINE-ZINC02550768