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ASINEX-ZINC04298369

 MMsINC code: MMs00323274
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)=1.40649 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: 0.114685  Sterimol/B1: 2.40433  Sterimol/B2: 2.81073  Sterimol/B3: 3.16379
  Sterimol/B4: 6.16654  Sterimol/L: 10.0496 
 
 Surface and Volume Properties
  Accessible surface: 322.869  Positive charged surface: 213.544  Negative charged surface: 109.325  Volume: 137.125
  Hydrophobic surface: 71.2133  Hydrophilic surface: 251.6557
 
 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


MMs00323275
ASINEX-ZINC04298369