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PUBCHEM-ZINC06425539

 MMsINC code: MMs03725038
Type: Neutral
Formula: C9H16N2O4
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)C(=O)N)C
InChI:   InChI=1/C9H16N2O4/c1-5(6(12)7(10)13)11-8(14)15-9(2,3)4/h5H,1-4H3,(H2,10,13)(H,11,14)/t5-/m0/s1

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Potential Energy
Epot(MMFF94)=30.5054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.237 g/mol  logS: -1.75868  SlogP: -0.046  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0867195  Sterimol/B1: 2.0783  Sterimol/B2: 3.00713  Sterimol/B3: 3.79981
  Sterimol/B4: 5.21968  Sterimol/L: 14.0188 
 
 Surface and Volume Properties
  Accessible surface: 436.983  Positive charged surface: 287.18  Negative charged surface: 149.803  Volume: 204
  Hydrophobic surface: 188.278  Hydrophilic surface: 248.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.