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NCID-ZINC01670526

 MMsINC code: MMs02306551
Type: Neutral
Formula: C5H11N5O4
SMILES:   O=[N+]([O-])N(CCCC)C(N[N+](=O)[O-])=N
InChI:   InChI=1/C5H11N5O4/c1-2-3-4-8(10(13)14)5(6)7-9(11)12/h2-4H2,1H3,(H2,6,7)

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Potential Energy
Epot(MMFF94)=-13.7616 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.174 g/mol  logS: -2.48856  SlogP: -0.00373  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.100784  Sterimol/B1: 2.84025  Sterimol/B2: 3.31912  Sterimol/B3: 3.78879
  Sterimol/B4: 4.98875  Sterimol/L: 12.9939 
 
 Surface and Volume Properties
  Accessible surface: 381.149  Positive charged surface: 181.775  Negative charged surface: 199.374  Volume: 166.75
  Hydrophobic surface: 138.788  Hydrophilic surface: 242.361
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.