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NCID-ZINC04792153

 MMsINC code: MMs02406478
Type: Neutral
Formula: C6H12N8O4
SMILES:   O=[N+]([O-])NC1=NCCN1CCNC(N[N+](=O)[O-])=N
InChI:   InChI=1/C6H12N8O4/c7-5(10-13(15)16)8-1-3-12-4-2-9-6(12)11-14(17)18/h1-4H2,(H,9,11)(H3,7,8,10)

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Potential Energy
Epot(MMFF94)=-12.9377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.214 g/mol  logS: -1.70176  SlogP: -2.25503  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0871361  Sterimol/B1: 3.232  Sterimol/B2: 3.38873  Sterimol/B3: 3.84419
  Sterimol/B4: 5.81365  Sterimol/L: 14.4236 
 
 Surface and Volume Properties
  Accessible surface: 456.478  Positive charged surface: 257.422  Negative charged surface: 199.056  Volume: 203.375
  Hydrophobic surface: 136.289  Hydrophilic surface: 320.189
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.