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PUBCHEM-ZINC06796330

 MMsINC code: MMs03863571
Type: Neutral
Formula: C7H10N2O4
SMILES:   o1nc(O)c(C)c1CC(N)C(O)=O
InChI:   InChI=1/C7H10N2O4/c1-3-5(13-9-6(3)10)2-4(8)7(11)12/h4H,2,8H2,1H3,(H,9,10)(H,11,12)/t4-/m0/s1

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Potential Energy
Epot(MMFF94)=47.2949 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.167 g/mol  logS: -0.01616  SlogP: -0.35701  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0926578  Sterimol/B1: 2.0262  Sterimol/B2: 2.46281  Sterimol/B3: 3.55287
  Sterimol/B4: 5.46852  Sterimol/L: 11.9865 
 
 Surface and Volume Properties
  Accessible surface: 351.846  Positive charged surface: 198.047  Negative charged surface: 153.799  Volume: 159.125
  Hydrophobic surface: 130.121  Hydrophilic surface: 221.725
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.