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BACHEM-ZINC02384748

 MMsINC code: MMs00482843
Type: Ionized
Formula: C13H20F3N2O5-
SMILES:   FC(F)(F)C(=O)NCCCCC(NC(OC(C)(C)C)=O)C(=O)[O-]
InChI:   InChI=1/C13H21F3N2O5/c1-12(2,3)23-11(22)18-8(9(19)20)6-4-5-7-17-10(21)13(14,15)16/h8H,4-7H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=43.1141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.306 g/mol  logS: -2.93872  SlogP: 0.8983  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0689925  Sterimol/B1: 2.34124  Sterimol/B2: 3.74953  Sterimol/B3: 4.88405
  Sterimol/B4: 7.94157  Sterimol/L: 15.6925 
 
 Surface and Volume Properties
  Accessible surface: 591.202  Positive charged surface: 323.114  Negative charged surface: 268.087  Volume: 292.25
  Hydrophobic surface: 264.33  Hydrophilic surface: 326.872
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  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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Parent related molecule:


MMs00482842
BACHEM-ZINC02384748