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BACHEM-ZINC01640085

 MMsINC code: MMs00482486
Type: Neutral
Formula: C11H23NO3
SMILES:   O(C(C)(C)C)C(=O)C(N)COC(C)(C)C
InChI:   InChI=1/C11H23NO3/c1-10(2,3)14-7-8(12)9(13)15-11(4,5)6/h8H,7,12H2,1-6H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=74.2495 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.309 g/mol  logS: -1.79597  SlogP: 1.4705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104363  Sterimol/B1: 2.24812  Sterimol/B2: 2.99571  Sterimol/B3: 3.75016
  Sterimol/B4: 6.38296  Sterimol/L: 13.6966 
 
 Surface and Volume Properties
  Accessible surface: 477.674  Positive charged surface: 339.149  Negative charged surface: 138.525  Volume: 233
  Hydrophobic surface: 295.25  Hydrophilic surface: 182.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.