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APOLLO-ZINC02576671

 MMsINC code: MMs00055096
Type: Neutral
Formula: C6H2F5NO2S
SMILES:   S(=O)(=O)(N)c1c(F)c(F)c(F)c(F)c1F
InChI:   InChI=1/C6H2F5NO2S/c7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9/h(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=-15.5819 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 247.143 g/mol  logS: -3.08639  SlogP: 1.0295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103624  Sterimol/B1: 2.83801  Sterimol/B2: 3.17287  Sterimol/B3: 3.86611
  Sterimol/B4: 3.86657  Sterimol/L: 10.3193 
 
 Surface and Volume Properties
  Accessible surface: 335.681  Positive charged surface: 113.739  Negative charged surface: 221.942  Volume: 148
  Hydrophobic surface: 209.75  Hydrophilic surface: 125.931
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00055097
APOLLO-ZINC02576671