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NCID-ZINC04430180

 MMsINC code: MMs02388103
Type: Neutral
Formula: C5H11N5O3
SMILES:   O=NN(CCCC)C(N[N+](=O)[O-])=N
InChI:   InChI=1/C5H11N5O3/c1-2-3-4-9(8-11)5(6)7-10(12)13/h2-4H2,1H3,(H2,6,7)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.06324 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.175 g/mol  logS: -2.15527  SlogP: 0.48597  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0911728  Sterimol/B1: 2.90168  Sterimol/B2: 3.18081  Sterimol/B3: 3.67785
  Sterimol/B4: 4.78322  Sterimol/L: 13.112 
 
 Surface and Volume Properties
  Accessible surface: 374.644  Positive charged surface: 187.333  Negative charged surface: 187.31  Volume: 161.25
  Hydrophobic surface: 196.088  Hydrophilic surface: 178.556
 
 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.