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ASINEX-ZINC03106838

 MMsINC code: MMs00286070
Type: Neutral
Formula: C11H11F4NO5S
SMILES:   S(OCC(F)(F)C(F)F)(=O)(=O)c1ccc(NC(OC)=O)cc1
InChI:   InChI=1/C11H11F4NO5S/c1-20-10(17)16-7-2-4-8(5-3-7)22(18,19)21-6-11(14,15)9(12)13/h2-5,9H,6H2,1H3,(H,16,17)

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Potential Energy
Epot(MMFF94)=62.487 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.269 g/mol  logS: -3.29049  SlogP: 3.3104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106025  Sterimol/B1: 3.10115  Sterimol/B2: 3.94161  Sterimol/B3: 4.18074
  Sterimol/B4: 5.84699  Sterimol/L: 15.7203 
 
 Surface and Volume Properties
  Accessible surface: 509.815  Positive charged surface: 244.048  Negative charged surface: 265.767  Volume: 248.75
  Hydrophobic surface: 242.353  Hydrophilic surface: 267.462
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.