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IBS-ZINC05217962

 MMsINC code: MMs01932249
Type: Neutral
Formula: C10H16N6O3
SMILES:   O1CCN(CC1)c1nc(nc(N)c1[N+](=O)[O-])N(C)C
InChI:   InChI=1/C10H16N6O3/c1-14(2)10-12-8(11)7(16(17)18)9(13-10)15-3-5-19-6-4-15/h3-6H2,1-2H3,(H2,11,12,13)

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Potential Energy
Epot(MMFF94)=81.8699 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.277 g/mol  logS: -2.16941  SlogP: -0.1304  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130069  Sterimol/B1: 3.57482  Sterimol/B2: 3.58043  Sterimol/B3: 3.81021
  Sterimol/B4: 6.32372  Sterimol/L: 11.9343 
 
 Surface and Volume Properties
  Accessible surface: 471.011  Positive charged surface: 374.926  Negative charged surface: 96.0845  Volume: 239.5
  Hydrophobic surface: 295.293  Hydrophilic surface: 175.718
 
 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.