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APOLLO-ZINC00153873

MMsINC code: MMs00044121

Type: Neutral
Formula: C10H9F3O3S
SMILES:   S(=O)(=O)(CC(=O)c1cc(ccc1)C(F)(F)F)C
InChI:   InChI=1/C10H9F3O3S/c1-17(15,16)6-9(14)7-3-2-4-8(5-7)10(11,12)13/h2-5H,6H2,1H3

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Potential Energy
Epot(MMFF94)=45.7356 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: 0.0311231  Sterimol/B1: 3.03404  Sterimol/B2: 3.03764  Sterimol/B3: 3.90173
  Sterimol/B4: 4.26747  Sterimol/L: 14.0922 
 
 Surface and Volume Properties
  Accessible surface: 431.59  Positive charged surface: 161.182  Negative charged surface: 270.408  Volume: 202.375
  Hydrophobic surface: 232.454  Hydrophilic surface: 199.136
 
 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.