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BACHEM-ZINC02392274

 MMsINC code: MMs00483134
Type: Ionized
Formula: C10H18NO5-
SMILES:   O(C(C)(C)C)C(=O)N(C(C(O)C)C(=O)[O-])C
InChI:   InChI=1/C10H19NO5/c1-6(12)7(8(13)14)11(5)9(15)16-10(2,3)4/h6-7,12H,1-5H3,(H,13,14)/p-1/t6-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=29.4785 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.256 g/mol  logS: -1.09653  SlogP: -0.6474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14511  Sterimol/B1: 2.60713  Sterimol/B2: 3.23747  Sterimol/B3: 4.25237
  Sterimol/B4: 5.2707  Sterimol/L: 12.7082 
 
 Surface and Volume Properties
  Accessible surface: 447.585  Positive charged surface: 284.258  Negative charged surface: 163.327  Volume: 222.5
  Hydrophobic surface: 262.049  Hydrophilic surface: 185.536
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 2
 
 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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Parent related molecule:


MMs00483133
BACHEM-ZINC02392274