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PUBCHEM-ZINC05413092

 MMsINC code: MMs03261153
Type: Neutral
Formula: C3H4N2O3
SMILES:   O=C1NC(=O)N(O)C1
InChI:   InChI=1/C3H4N2O3/c6-2-1-5(8)3(7)4-2/h8H,1H2,(H,4,6,7)

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Potential Energy
Epot(MMFF94)=15.4619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 116.076 g/mol  logS: 0.05613  SlogP: -1.0726  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0577994  Sterimol/B1: 2.10388  Sterimol/B2: 2.38077  Sterimol/B3: 2.38233
  Sterimol/B4: 4.81295  Sterimol/L: 8.58329 
 
 Surface and Volume Properties
  Accessible surface: 253.041  Positive charged surface: 147.842  Negative charged surface: 105.199  Volume: 88.125
  Hydrophobic surface: 42.7864  Hydrophilic surface: 210.2546
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.