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MAYBRIDGE-ZINC04362543

 MMsINC code: MMs02170863
Type: Neutral
Formula: C10H15N5O2
SMILES:   O=[N+]([O-])c1c(ncnc1NC)N1CCCCC1
InChI:   InChI=1/C10H15N5O2/c1-11-9-8(15(16)17)10(13-7-12-9)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,11,12,13)

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Potential Energy
Epot(MMFF94)=66.3216 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 237.263 g/mol  logS: -2.17851  SlogP: 1.4168  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110942  Sterimol/B1: 3.62352  Sterimol/B2: 3.62512  Sterimol/B3: 4.21549
  Sterimol/B4: 4.88631  Sterimol/L: 13.6825 
 
 Surface and Volume Properties
  Accessible surface: 444.867  Positive charged surface: 339.511  Negative charged surface: 105.357  Volume: 217.625
  Hydrophobic surface: 295.936  Hydrophilic surface: 148.931
 
 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.