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APOLLO-ZINC04100511

 MMsINC code: MMs00056783
Type: Neutral
Formula: C9H7F5O3S
SMILES:   S(Oc1c(F)c(F)c(F)c(F)c1F)(=O)(=O)C(C)C
InChI:   InChI=1/C9H7F5O3S/c1-3(2)18(15,16)17-9-7(13)5(11)4(10)6(12)8(9)14/h3H,1-2H3

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Potential Energy
Epot(MMFF94)=45.1181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.208 g/mol  logS: -3.78767  SlogP: 2.4991  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146625  Sterimol/B1: 2.27322  Sterimol/B2: 3.75378  Sterimol/B3: 4.4737
  Sterimol/B4: 4.58526  Sterimol/L: 11.1505 
 
 Surface and Volume Properties
  Accessible surface: 398.651  Positive charged surface: 157.709  Negative charged surface: 240.941  Volume: 194.75
  Hydrophobic surface: 298.628  Hydrophilic surface: 100.023
 
 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.