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NCID-ZINC01573291

 MMsINC code: MMs02232780
Type: Neutral
Formula: C6H12N2O3
SMILES:   O(CC)C(=O)N(C(=O)NC)C
InChI:   InChI=1/C6H12N2O3/c1-4-11-6(10)8(3)5(9)7-2/h4H2,1-3H3,(H,7,9)

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Potential Energy
Epot(MMFF94)=-10.5851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.173 g/mol  logS: -0.28968  SlogP: 0.4141  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0296516  Sterimol/B1: 2.37478  Sterimol/B2: 2.51281  Sterimol/B3: 3.41204
  Sterimol/B4: 3.68388  Sterimol/L: 13.0652 
 
 Surface and Volume Properties
  Accessible surface: 366.744  Positive charged surface: 300.212  Negative charged surface: 66.5319  Volume: 154.125
  Hydrophobic surface: 262.289  Hydrophilic surface: 104.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.