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PUBCHEM-ZINC05511596

 MMsINC code: MMs03292258
Type: Neutral
Formula: C7H15N5O3
SMILES:   O=NN(\C(=N/[N+](=O)[O-])\N)CCCCCC
InChI:   InChI=1/C7H15N5O3/c1-2-3-4-5-6-11(10-13)7(8)9-12(14)15/h2-6H2,1H3,(H2,8,9)

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Potential Energy
Epot(MMFF94)=23.0492 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.229 g/mol  logS: -3.18571  SlogP: 1.0565  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0705684  Sterimol/B1: 2.65067  Sterimol/B2: 3.04824  Sterimol/B3: 3.59032
  Sterimol/B4: 4.88467  Sterimol/L: 15.0962 
 
 Surface and Volume Properties
  Accessible surface: 435.317  Positive charged surface: 237.868  Negative charged surface: 197.449  Volume: 195.625
  Hydrophobic surface: 262.94  Hydrophilic surface: 172.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.