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APOLLO-ZINC00153885

 MMsINC code: MMs00044124
Type: Neutral
Formula: C10H9F3O3S
SMILES:   S(=O)(=O)(CC(=O)c1ccc(cc1)C(F)(F)F)C
InChI:   InChI=1/C10H9F3O3S/c1-17(15,16)6-9(14)7-2-4-8(5-3-7)10(11,12)13/h2-5H,6H2,1H3

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Potential Energy
Epot(MMFF94)=46.7877 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.239 g/mol  logS: -2.85751  SlogP: 2.2442  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0294971  Sterimol/B1: 2.89524  Sterimol/B2: 3.03412  Sterimol/B3: 3.03756
  Sterimol/B4: 4.84825  Sterimol/L: 14.1238 
 
 Surface and Volume Properties
  Accessible surface: 429.292  Positive charged surface: 159.744  Negative charged surface: 269.548  Volume: 201
  Hydrophobic surface: 230.421  Hydrophilic surface: 198.871
 
 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.