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NCID-ZINC01620564

 MMsINC code: MMs02268727
Type: Neutral
Formula: C3H7N3O3
SMILES:   O=C(N)C(N[N+](=O)[O-])C
InChI:   InChI=1/C3H7N3O3/c1-2(3(4)7)5-6(8)9/h2,5H,1H3,(H2,4,7)/t2-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-0.827902 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 133.107 g/mol  logS: -0.65431  SlogP: -1.3585  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.159719  Sterimol/B1: 2.12938  Sterimol/B2: 2.55795  Sterimol/B3: 3.58036
  Sterimol/B4: 5.04421  Sterimol/L: 9.7567 
 
 Surface and Volume Properties
  Accessible surface: 288.791  Positive charged surface: 144.07  Negative charged surface: 144.721  Volume: 108.25
  Hydrophobic surface: 58.6877  Hydrophilic surface: 230.1033
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.