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BACHEM-ZINC02554979

 MMsINC code: MMs00483567
Type: Neutral
Formula: C10H19NO4
SMILES:   O(C(C)(C)C)C(=O)NCCCCC(O)=O
InChI:   InChI=1/C10H19NO4/c1-10(2,3)15-9(14)11-7-5-4-6-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)

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Potential Energy
Epot(MMFF94)=2.58738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -1.10286  SlogP: 1.766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0466846  Sterimol/B1: 2.3747  Sterimol/B2: 2.50616  Sterimol/B3: 4.02932
  Sterimol/B4: 4.87454  Sterimol/L: 16.6355 
 
 Surface and Volume Properties
  Accessible surface: 470.271  Positive charged surface: 332.72  Negative charged surface: 137.55  Volume: 219.5
  Hydrophobic surface: 268.867  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


MMs00483568
BACHEM-ZINC02554979