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ALFAAESAR-ZINC01567243

 MMsINC code: MMs00021310
Type: Neutral
Formula: C9H19NO4
SMILES:   OC(C(CO)(C)C)C(=O)NCCCO
InChI:   InChI=1/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=41.9491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.254 g/mol  logS: 0.03743  SlogP: -1.1356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.126987  Sterimol/B1: 2.63  Sterimol/B2: 3.44273  Sterimol/B3: 4.34444
  Sterimol/B4: 4.9481  Sterimol/L: 13.3311 
 
 Surface and Volume Properties
  Accessible surface: 426.33  Positive charged surface: 318.721  Negative charged surface: 107.61  Volume: 201.75
  Hydrophobic surface: 229.851  Hydrophilic surface: 196.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.