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ENAMINE-ZINC03269785

 MMsINC code: MMs01341843
Type: Ionized
Formula: C13H7F3NO4S-
SMILES:   S(=O)(=O)(Nc1cc(F)c(F)cc1)c1cc(cc(F)c1)C(=O)[O-]
InChI:   InChI=1/C13H8F3NO4S/c14-8-3-7(13(18)19)4-10(5-8)22(20,21)17-9-1-2-11(15)12(16)6-9/h1-6,17H,(H,18,19)/p-1

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Potential Energy
Epot(MMFF94)=23.5431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.262 g/mol  logS: -4.16151  SlogP: 1.2682  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.27353  Sterimol/B1: 2.60473  Sterimol/B2: 5.00046  Sterimol/B3: 5.65971
  Sterimol/B4: 5.78882  Sterimol/L: 11.3201 
 
 Surface and Volume Properties
  Accessible surface: 461.574  Positive charged surface: 161.723  Negative charged surface: 299.851  Volume: 243.125
  Hydrophobic surface: 293.471  Hydrophilic surface: 168.103
 
 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:


MMs01341842
ENAMINE-ZINC03269785