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NCID-ZINC04428973

 MMsINC code: MMs02387143
Type: Neutral
Formula: C8H14N2O5
SMILES:   O(C(=O)CN(N=O)CC(OCC)=O)CC
InChI:   InChI=1/C8H14N2O5/c1-3-14-7(11)5-10(9-13)6-8(12)15-4-2/h3-6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.7451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.209 g/mol  logS: -1.26159  SlogP: 0.096  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0507892  Sterimol/B1: 2.4779  Sterimol/B2: 3.05487  Sterimol/B3: 3.19744
  Sterimol/B4: 6.27579  Sterimol/L: 15.673 
 
 Surface and Volume Properties
  Accessible surface: 460.217  Positive charged surface: 302.715  Negative charged surface: 157.502  Volume: 198.75
  Hydrophobic surface: 343.219  Hydrophilic surface: 116.998
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.