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ASINEX-ZINC00721759

 MMsINC code: MMs00153409
Type: Neutral
Formula: C13H14F3NO5S
SMILES:   s1c(C(OCC)=O)c(C)c(C(OCC)=O)c1NC(=O)C(F)(F)F
InChI:   InChI=1/C13H14F3NO5S/c1-4-21-10(18)7-6(3)8(11(19)22-5-2)23-9(7)17-12(20)13(14,15)16/h4-5H2,1-3H3,(H,17,20)

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Potential Energy
Epot(MMFF94)=93.1243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 353.317 g/mol  logS: -4.36624  SlogP: 3.33062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0510616  Sterimol/B1: 2.13611  Sterimol/B2: 2.32193  Sterimol/B3: 4.86752
  Sterimol/B4: 9.33746  Sterimol/L: 16.0735 
 
 Surface and Volume Properties
  Accessible surface: 579.476  Positive charged surface: 294.233  Negative charged surface: 285.243  Volume: 281.5
  Hydrophobic surface: 318.808  Hydrophilic surface: 260.668
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.