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BACHEM-ZINC02560822

 MMsINC code: MMs00483933
Type: Neutral
Formula: C9H16N2O4
SMILES:   O(C(=O)C(NC(=O)C(NC(=O)C)C)C)C
InChI:   InChI=1/C9H16N2O4/c1-5(10-7(3)12)8(13)11-6(2)9(14)15-4/h5-6H,1-4H3,(H,10,12)(H,11,13)/t5-,6-/m0/s1

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Potential Energy
Epot(MMFF94)=37.2095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.237 g/mol  logS: -1.00563  SlogP: -0.8113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0477631  Sterimol/B1: 2.01365  Sterimol/B2: 2.79096  Sterimol/B3: 3.13616
  Sterimol/B4: 6.00928  Sterimol/L: 15.5334 
 
 Surface and Volume Properties
  Accessible surface: 456.794  Positive charged surface: 318.141  Negative charged surface: 138.653  Volume: 206.75
  Hydrophobic surface: 298.85  Hydrophilic surface: 157.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.