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CHEMBLOCK-ZINC00036342

 MMsINC code: MMs00487456
Type: Neutral
Formula: C11H11F3O3S
SMILES:   S1(=O)(=O)c2cc(ccc2OCC1C(F)(F)F)CC
InChI:   InChI=1/C11H11F3O3S/c1-2-7-3-4-8-9(5-7)18(15,16)10(6-17-8)11(12,13)14/h3-5,10H,2,6H2,1H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=4.02768 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.266 g/mol  logS: -3.79692  SlogP: 2.76587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0688428  Sterimol/B1: 2.15461  Sterimol/B2: 3.1544  Sterimol/B3: 3.91538
  Sterimol/B4: 5.34638  Sterimol/L: 13.4806 
 
 Surface and Volume Properties
  Accessible surface: 433.355  Positive charged surface: 201.267  Negative charged surface: 232.088  Volume: 214.375
  Hydrophobic surface: 252.058  Hydrophilic surface: 181.297
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.