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BACHEM-ZINC04899526

 MMsINC code: MMs00484991
Type: Neutral
Formula: C16H31NO4
SMILES:   O(C(C)(C)C)C(=O)NCCCCCCCCCCC(O)=O
InChI:   InChI=1/C16H31NO4/c1-16(2,3)21-15(20)17-13-11-9-7-5-4-6-8-10-12-14(18)19/h4-13H2,1-3H3,(H,17,20)(H,18,19)

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Potential Energy
Epot(MMFF94)=3.24 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.427 g/mol  logS: -3.88073  SlogP: 4.1066  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175254  Sterimol/B1: 2.37484  Sterimol/B2: 2.58378  Sterimol/B3: 4.0311
  Sterimol/B4: 4.87439  Sterimol/L: 24.1289 
 
 Surface and Volume Properties
  Accessible surface: 652.767  Positive charged surface: 491.429  Negative charged surface: 161.337  Volume: 324.25
  Hydrophobic surface: 451.363  Hydrophilic surface: 201.404
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00484992
BACHEM-ZINC04899526