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BACHEM-ZINC02391126

 MMsINC code: MMs00483090
Type: Neutral
Formula: C11H21NO4
SMILES:   O(C(C)(C)C)C(=O)N(C(C(C)C)C(O)=O)C
InChI:   InChI=1/C11H21NO4/c1-7(2)8(9(13)14)12(6)10(15)16-11(3,4)5/h7-8H,1-6H3,(H,13,14)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=43.3296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.292 g/mol  logS: -1.44216  SlogP: 1.9625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1589  Sterimol/B1: 2.58561  Sterimol/B2: 3.51447  Sterimol/B3: 4.61405
  Sterimol/B4: 5.07896  Sterimol/L: 12.778 
 
 Surface and Volume Properties
  Accessible surface: 457.62  Positive charged surface: 327.657  Negative charged surface: 129.963  Volume: 234.125
  Hydrophobic surface: 282.678  Hydrophilic surface: 174.942
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs00483091
BACHEM-ZINC02391126