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PUBCHEM-ZINC05663273

 MMsINC code: MMs03339448
Type: Neutral
Formula: C6H12N2O3
SMILES:   OCCC(NC(=O)C)C(=O)N
InChI:   InChI=1/C6H12N2O3/c1-4(10)8-5(2-3-9)6(7)11/h5,9H,2-3H2,1H3,(H2,7,11)(H,8,10)/t5-/m1/s1

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Potential Energy
Epot(MMFF94)=19.695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.173 g/mol  logS: -0.04826  SlogP: -1.6412  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120848  Sterimol/B1: 2.85412  Sterimol/B2: 3.28306  Sterimol/B3: 4.18732
  Sterimol/B4: 5.40042  Sterimol/L: 9.99496 
 
 Surface and Volume Properties
  Accessible surface: 355.46  Positive charged surface: 240.707  Negative charged surface: 114.754  Volume: 150.875
  Hydrophobic surface: 161.073  Hydrophilic surface: 194.387
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.