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PUBCHEM-ZINC05950861

 MMsINC code: MMs03457381
Type: Ionized
Formula: C10H18NO5-
SMILES:   O(CC(C(O)C(=O)NCCC(=O)[O-])(C)C)C
InChI:   InChI=1/C10H19NO5/c1-10(2,6-16-3)8(14)9(15)11-5-4-7(12)13/h8,14H,4-6H2,1-3H3,(H,11,15)(H,12,13)/p-1/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=23.3548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.256 g/mol  logS: -0.44673  SlogP: -1.7239  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.150084  Sterimol/B1: 2.26623  Sterimol/B2: 3.70939  Sterimol/B3: 5.08074
  Sterimol/B4: 5.56693  Sterimol/L: 14.0569 
 
 Surface and Volume Properties
  Accessible surface: 458.287  Positive charged surface: 314.508  Negative charged surface: 143.779  Volume: 222.5
  Hydrophobic surface: 263.088  Hydrophilic surface: 195.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 2  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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MMs03457380
PUBCHEM-ZINC05950861