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PUBCHEM-ZINC05073386

 MMsINC code: MMs03197233
Type: Neutral
Formula: C10H7F6NO3S
SMILES:   S(ON1CC1(C(F)(F)F)C(F)(F)F)(=O)(=O)c1ccccc1
InChI:   InChI=1/C10H7F6NO3S/c11-9(12,13)8(10(14,15)16)6-17(8)20-21(18,19)7-4-2-1-3-5-7/h1-5H,6H2/t17-/m1/s1

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Potential Energy
Epot(MMFF94)=83.6008 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.224 g/mol  logS: -3.86782  SlogP: 3.3257  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.114832  Sterimol/B1: 3.28698  Sterimol/B2: 3.45653  Sterimol/B3: 4.08298
  Sterimol/B4: 5.17073  Sterimol/L: 12.4807 
 
 Surface and Volume Properties
  Accessible surface: 448.096  Positive charged surface: 131.424  Negative charged surface: 316.672  Volume: 222.5
  Hydrophobic surface: 232.389  Hydrophilic surface: 215.707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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: no related molecules available.