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PUBCHEM-ZINC02576799

 MMsINC code: MMs02903672
Type: Neutral
Formula: C14H27NO4
SMILES:   O(C(C)(C)C)C(=O)NCCCCCCCCC(O)=O
InChI:   InChI=1/C14H27NO4/c1-14(2,3)19-13(18)15-11-9-7-5-4-6-8-10-12(16)17/h4-11H2,1-3H3,(H,15,18)(H,16,17)

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Potential Energy
Epot(MMFF94)=3.28212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.373 g/mol  logS: -2.85029  SlogP: 3.3264  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0231015  Sterimol/B1: 2.37491  Sterimol/B2: 2.57193  Sterimol/B3: 4.03184
  Sterimol/B4: 4.87432  Sterimol/L: 21.6296 
 
 Surface and Volume Properties
  Accessible surface: 592.034  Positive charged surface: 438.626  Negative charged surface: 153.408  Volume: 289.25
  Hydrophobic surface: 390.631  Hydrophilic surface: 201.403
 
 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


MMs02903673
PUBCHEM-ZINC02576799