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ENAMINE-ZINC03884710

 MMsINC code: MMs01526770
Type: Neutral
Formula: C14H10F3NO4S
SMILES:   S(=O)(=O)(Nc1cc(ccc1)C(F)(F)F)c1cc(ccc1)C(O)=O
InChI:   InChI=1/C14H10F3NO4S/c15-14(16,17)10-4-2-5-11(8-10)18-23(21,22)12-6-1-3-9(7-12)13(19)20/h1-8,18H,(H,19,20)

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Potential Energy
Epot(MMFF94)=50.9363 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: 0.206355  Sterimol/B1: 2.51777  Sterimol/B2: 4.79374  Sterimol/B3: 5.01189
  Sterimol/B4: 5.88386  Sterimol/L: 13.176 
 
 Surface and Volume Properties
  Accessible surface: 507.713  Positive charged surface: 200.59  Negative charged surface: 307.123  Volume: 264.375
  Hydrophobic surface: 229.502  Hydrophilic surface: 278.211
 
 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


MMs01526771
ENAMINE-ZINC03884710