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PUBCHEM-ZINC02576799

 MMsINC code: MMs02903673
Type: Ionized
Formula: C14H26NO4-
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)/p-1

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Potential Energy
Epot(MMFF94)=-6.33349 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.365 g/mol  logS: -3.11074  SlogP: 1.9917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0252704  Sterimol/B1: 2.39766  Sterimol/B2: 2.79297  Sterimol/B3: 4.26002
  Sterimol/B4: 4.89723  Sterimol/L: 21.0638 
 
 Surface and Volume Properties
  Accessible surface: 606.746  Positive charged surface: 440.074  Negative charged surface: 166.672  Volume: 287.125
  Hydrophobic surface: 410.602  Hydrophilic surface: 196.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs02903672
PUBCHEM-ZINC02576799