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NCID-ZINC01598700

 MMsINC code: MMs02252179
Type: Neutral
Formula: C4H8N2O4
SMILES:   O=[N+]([O-])CCCC[N+](=O)[O-]
InChI:   InChI=1/C4H8N2O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.4128 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.118 g/mol  logS: -1.5155  SlogP: 0.32  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0907892  Sterimol/B1: 2.55052  Sterimol/B2: 2.55549  Sterimol/B3: 2.55633
  Sterimol/B4: 3.34289  Sterimol/L: 11.6163 
 
 Surface and Volume Properties
  Accessible surface: 317.856  Positive charged surface: 145.64  Negative charged surface: 172.216  Volume: 120.875
  Hydrophobic surface: 144.871  Hydrophilic surface: 172.985
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.