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PUBCHEM-ZINC05950861

 MMsINC code: MMs03457380
Type: Neutral
Formula: C10H19NO5
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)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=39.8789 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.264 g/mol  logS: -0.18628  SlogP: -0.3892  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15622  Sterimol/B1: 2.2085  Sterimol/B2: 3.56177  Sterimol/B3: 5.51307
  Sterimol/B4: 5.60149  Sterimol/L: 13.0273 
 
 Surface and Volume Properties
  Accessible surface: 456.416  Positive charged surface: 326.886  Negative charged surface: 129.53  Volume: 220.5
  Hydrophobic surface: 253.687  Hydrophilic surface: 202.729
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs03457381
PUBCHEM-ZINC05950861