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PUBCHEM-ZINC06251432

 MMsINC code: MMs03638905
Type: Neutral
Formula: C13H12F6N2O4S
SMILES:   S(=O)(=O)(N1CC(NC(=O)C(F)(F)F)CC1)c1ccc(OC(F)(F)F)cc1
InChI:   InChI=1/C13H12F6N2O4S/c14-12(15,16)11(22)20-8-5-6-21(7-8)26(23,24)10-3-1-9(2-4-10)25-13(17,18)19/h1-4,8H,5-7H2,(H,20,22)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=84.7722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.303 g/mol  logS: -4.09394  SlogP: 2.8665  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.175942  Sterimol/B1: 2.4412  Sterimol/B2: 5.02726  Sterimol/B3: 5.07681
  Sterimol/B4: 6.57473  Sterimol/L: 13.3961 
 
 Surface and Volume Properties
  Accessible surface: 543.323  Positive charged surface: 207.333  Negative charged surface: 335.99  Volume: 287.375
  Hydrophobic surface: 228.128  Hydrophilic surface: 315.195
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.