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APOLLO-ZINC00163777

 MMsINC code: MMs00047295
Type: Neutral
Formula: C9H9F4NO2S
SMILES:   S(=O)(=O)(N(C(F)(F)C(F)F)C)c1ccccc1
InChI:   InChI=1/C9H9F4NO2S/c1-14(9(12,13)8(10)11)17(15,16)7-5-3-2-4-6-7/h2-6,8H,1H3

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Potential Energy
Epot(MMFF94)=30.3863 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.234 g/mol  logS: -2.58585  SlogP: 3.0048  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.164477  Sterimol/B1: 2.35288  Sterimol/B2: 3.29427  Sterimol/B3: 4.4867
  Sterimol/B4: 5.4367  Sterimol/L: 11.4667 
 
 Surface and Volume Properties
  Accessible surface: 402.49  Positive charged surface: 168.443  Negative charged surface: 234.048  Volume: 199.25
  Hydrophobic surface: 235.041  Hydrophilic surface: 167.449
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.