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PUBCHEM-ZINC05472758

 MMsINC code: MMs03279417
Type: Neutral
Formula: C9H16N2O4
SMILES:   O1CCN(CC1)C(=O)NCC(OCC)=O
InChI:   InChI=1/C9H16N2O4/c1-2-15-8(12)7-10-9(13)11-3-5-14-6-4-11/h2-7H2,1H3,(H,10,13)

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Potential Energy
Epot(MMFF94)=24.0606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.237 g/mol  logS: -0.5252  SlogP: -0.4087  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0386071  Sterimol/B1: 2.91193  Sterimol/B2: 3.43531  Sterimol/B3: 3.91284
  Sterimol/B4: 4.31477  Sterimol/L: 15.3124 
 
 Surface and Volume Properties
  Accessible surface: 447.311  Positive charged surface: 357.491  Negative charged surface: 89.8204  Volume: 203.25
  Hydrophobic surface: 321.454  Hydrophilic surface: 125.857
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.