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PUBCHEM-ZINC05997019

 MMsINC code: MMs03481034
Type: Neutral
Formula: C4H7N3O4
SMILES:   O(C(=O)CN(N=O)C(=O)N)C
InChI:   InChI=1/C4H7N3O4/c1-11-3(8)2-7(6-10)4(5)9/h2H2,1H3,(H2,5,9)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=27.091 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 161.117 g/mol  logS: -0.55184  SlogP: -0.7785  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.123498  Sterimol/B1: 2.57828  Sterimol/B2: 3.39324  Sterimol/B3: 3.57583
  Sterimol/B4: 4.06671  Sterimol/L: 10.6355 
 
 Surface and Volume Properties
  Accessible surface: 318.719  Positive charged surface: 193.6  Negative charged surface: 125.118  Volume: 126.875
  Hydrophobic surface: 178.02  Hydrophilic surface: 140.699
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.