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NCID-ZINC04722307

 MMsINC code: MMs02397543
Type: Neutral
Formula: C8H14N4O6
SMILES:   OC(=O)CN(N=O)CCCCN(N=O)CC(O)=O
InChI:   InChI=1/C8H14N4O6/c13-7(14)5-11(9-17)3-1-2-4-12(10-18)6-8(15)16/h1-6H2,(H,13,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=48.054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.222 g/mol  logS: -0.38634  SlogP: -0.0974  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0680554  Sterimol/B1: 2.75401  Sterimol/B2: 3.19401  Sterimol/B3: 3.57291
  Sterimol/B4: 4.62595  Sterimol/L: 14.5688 
 
 Surface and Volume Properties
  Accessible surface: 483.391  Positive charged surface: 266.326  Negative charged surface: 217.064  Volume: 221.625
  Hydrophobic surface: 297.018  Hydrophilic surface: 186.373
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 8  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: 0
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Ions/Tautomers related molecules


MMs02397544
NCID-ZINC04722307