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BACHEM-ZINC02526295

 MMsINC code: MMs00483463
Type: Neutral
Formula: C8H15NO4
SMILES:   O(C(C)(C)C)C(=O)C(N)CC(O)=O
InChI:   InChI=1/C8H15NO4/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H,10,11)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=40.0796 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.211 g/mol  logS: -0.54946  SlogP: 0.1301  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121289  Sterimol/B1: 2.6796  Sterimol/B2: 3.01943  Sterimol/B3: 3.8033
  Sterimol/B4: 4.91916  Sterimol/L: 12.2258 
 
 Surface and Volume Properties
  Accessible surface: 396.892  Positive charged surface: 262.894  Negative charged surface: 133.998  Volume: 180.5
  Hydrophobic surface: 181.239  Hydrophilic surface: 215.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.