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ASINEX-ZINC04298370

 MMsINC code: MMs00323276
Type: Neutral
Formula: C5H10N2O4
SMILES:   OC(C(NC(=O)N)C(O)=O)C
InChI:   InChI=1/C5H10N2O4/c1-2(8)3(4(9)10)7-5(6)11/h2-3,8H,1H3,(H,9,10)(H3,6,7,11)/t2-,3+/m0/s1

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Potential Energy
Epot(MMFF94)=3.07467 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.145 g/mol  logS: 0.16917  SlogP: -1.5113  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101776  Sterimol/B1: 2.64158  Sterimol/B2: 3.00306  Sterimol/B3: 3.01657
  Sterimol/B4: 5.42909  Sterimol/L: 9.80979 
 
 Surface and Volume Properties
  Accessible surface: 324.185  Positive charged surface: 215.762  Negative charged surface: 108.423  Volume: 137.375
  Hydrophobic surface: 73.5903  Hydrophilic surface: 250.5947
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 4  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


MMs00323277
ASINEX-ZINC04298370