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BACHEM-ZINC02392274

 MMsINC code: MMs00483133
Type: Neutral
Formula: C10H19NO5
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)/t6-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=49.1882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.264 g/mol  logS: -0.83608  SlogP: 0.6873  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153937  Sterimol/B1: 2.7187  Sterimol/B2: 3.19766  Sterimol/B3: 4.31326
  Sterimol/B4: 5.32632  Sterimol/L: 12.6748 
 
 Surface and Volume Properties
  Accessible surface: 444.331  Positive charged surface: 314.044  Negative charged surface: 130.287  Volume: 223.375
  Hydrophobic surface: 250.921  Hydrophilic surface: 193.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules


MMs00483134
BACHEM-ZINC02392274