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NCID-ZINC01607135

 MMsINC code: MMs02258968
Type: Neutral
Formula: C7H14N2O4
SMILES:   OC(C(NC(=O)CCN)C(O)=O)C
InChI:   InChI=1/C7H14N2O4/c1-4(10)6(7(12)13)9-5(11)2-3-8/h4,6,10H,2-3,8H2,1H3,(H,9,11)(H,12,13)/t4-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=28.7781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.199 g/mol  logS: 0.5431  SlogP: -1.7146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631197  Sterimol/B1: 2.37983  Sterimol/B2: 2.74055  Sterimol/B3: 3.0804
  Sterimol/B4: 6.27915  Sterimol/L: 12.3936 
 
 Surface and Volume Properties
  Accessible surface: 388.752  Positive charged surface: 281.848  Negative charged surface: 106.904  Volume: 171.25
  Hydrophobic surface: 148.808  Hydrophilic surface: 239.944
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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.