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IBS-ZINC05025326

MMsINC code: MMs01913499

Type: Neutral
Formula: C11H18N6O2
SMILES:   O=[N+]([O-])c1c(nc(nc1N)N(C)C)N1CCCCC1
InChI:   InChI=1/C11H18N6O2/c1-15(2)11-13-9(12)8(17(18)19)10(14-11)16-6-4-3-5-7-16/h3-7H2,1-2H3,(H2,12,13,14)

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Potential Energy
Epot(MMFF94)=54.7524 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.305 g/mol  logS: -2.63208  SlogP: 1.0233  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117041  Sterimol/B1: 3.62354  Sterimol/B2: 3.62505  Sterimol/B3: 3.69779
  Sterimol/B4: 6.5758  Sterimol/L: 12.8052 
 
 Surface and Volume Properties
  Accessible surface: 481.257  Positive charged surface: 374.156  Negative charged surface: 107.101  Volume: 247.625
  Hydrophobic surface: 320.833  Hydrophilic surface: 160.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.