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PUBCHEM-ZINC05700912

 MMsINC code: MMs03353203
Type: Neutral
Formula: C8H15N3O5
SMILES:   O(C(=O)N(N=O)CCCCC(N)C(O)=O)C
InChI:   InChI=1/C8H15N3O5/c1-16-8(14)11(10-15)5-3-2-4-6(9)7(12)13/h6H,2-5,9H2,1H3,(H,12,13)/t6-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.3237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.224 g/mol  logS: -0.56579  SlogP: 0.3184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0513353  Sterimol/B1: 2.87493  Sterimol/B2: 3.04774  Sterimol/B3: 3.10228
  Sterimol/B4: 5.78012  Sterimol/L: 14.9342 
 
 Surface and Volume Properties
  Accessible surface: 461.012  Positive charged surface: 308.541  Negative charged surface: 152.471  Volume: 206
  Hydrophobic surface: 277.426  Hydrophilic surface: 183.586
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  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.