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ASINEX-ZINC04384386

 MMsINC code: MMs00329070
Type: Neutral
Formula: C5H6N2O4
SMILES:   O=C1NC(=O)N(C1)CC(O)=O
InChI:   InChI=1/C5H6N2O4/c8-3-1-7(2-4(9)10)5(11)6-3/h1-2H2,(H,9,10)(H,6,8,11)

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Potential Energy
Epot(MMFF94)=-2.87027 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.113 g/mol  logS: -0.03033  SlogP: -1.3772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143853  Sterimol/B1: 2.10402  Sterimol/B2: 2.77404  Sterimol/B3: 3.38177
  Sterimol/B4: 5.13601  Sterimol/L: 10.4344 
 
 Surface and Volume Properties
  Accessible surface: 312.211  Positive charged surface: 191.435  Negative charged surface: 120.776  Volume: 125.625
  Hydrophobic surface: 66.8631  Hydrophilic surface: 245.3479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs00329071
ASINEX-ZINC04384386