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NCID-ZINC05084908

 MMsINC code: MMs02438591
Type: Neutral
Formula: C13H26N4O2
SMILES:   O=[N+]([O-])NC(NC1CCCCCCCCCCC1)=N
InChI:   InChI=1/C13H26N4O2/c14-13(16-17(18)19)15-12-10-8-6-4-2-1-3-5-7-9-11-12/h12H,1-11H2,(H3,14,15,16)

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Potential Energy
Epot(MMFF94)=52.9384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.377 g/mol  logS: -5.24018  SlogP: 2.96537  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.130392  Sterimol/B1: 3.39781  Sterimol/B2: 3.75782  Sterimol/B3: 4.93711
  Sterimol/B4: 4.99812  Sterimol/L: 14.8998 
 
 Surface and Volume Properties
  Accessible surface: 488.203  Positive charged surface: 314.268  Negative charged surface: 173.935  Volume: 275.125
  Hydrophobic surface: 328.672  Hydrophilic surface: 159.531
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.