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PUBCHEM-ZINC04203044

 MMsINC code: MMs03099340
Type: Neutral
Formula: C10H17NO4
SMILES:   O(C(=O)C1CC(NC1)C(OCC)=O)CC
InChI:   InChI=1/C10H17NO4/c1-3-14-9(12)7-5-8(11-6-7)10(13)15-4-2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=31.237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 215.249 g/mol  logS: -0.93533  SlogP: 0.0907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0466276  Sterimol/B1: 2.99513  Sterimol/B2: 3.16987  Sterimol/B3: 3.45475
  Sterimol/B4: 4.38294  Sterimol/L: 16.1569 
 
 Surface and Volume Properties
  Accessible surface: 468.035  Positive charged surface: 355.579  Negative charged surface: 112.456  Volume: 211.5
  Hydrophobic surface: 328.99  Hydrophilic surface: 139.045
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: no related molecules available.