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ENAMINE-ZINC03454491

 MMsINC code: MMs01453123
Type: Ionized
Formula: C14H9F3NO4S-
SMILES:   S(=O)(=O)(NCc1ccc(cc1)C(=O)[O-])c1ccc(F)c(F)c1F
InChI:   InChI=1/C14H10F3NO4S/c15-10-5-6-11(13(17)12(10)16)23(21,22)18-7-8-1-3-9(4-2-8)14(19)20/h1-6,18H,7H2,(H,19,20)/p-1

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Potential Energy
Epot(MMFF94)=10.9246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.289 g/mol  logS: -4.10555  SlogP: 1.2123  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0919563  Sterimol/B1: 2.84667  Sterimol/B2: 3.97635  Sterimol/B3: 4.14723
  Sterimol/B4: 5.84038  Sterimol/L: 15.8419 
 
 Surface and Volume Properties
  Accessible surface: 520.579  Positive charged surface: 199.67  Negative charged surface: 320.909  Volume: 263.875
  Hydrophobic surface: 345.598  Hydrophilic surface: 174.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs01453122
ENAMINE-ZINC03454491