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BACHEM-ZINC01640316

 MMsINC code: MMs00482490
Type: Neutral
Formula: C13H21F3N2O5
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)/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=62.9965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.314 g/mol  logS: -2.67827  SlogP: 2.233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0458149  Sterimol/B1: 2.14074  Sterimol/B2: 2.74458  Sterimol/B3: 4.73413
  Sterimol/B4: 8.38651  Sterimol/L: 17.1668 
 
 Surface and Volume Properties
  Accessible surface: 602.384  Positive charged surface: 343.249  Negative charged surface: 259.135  Volume: 292.25
  Hydrophobic surface: 261.738  Hydrophilic surface: 340.646
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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


MMs00482491
BACHEM-ZINC01640316