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PUBCHEM-ZINC00208589

 MMsINC code: MMs02639671
Type: Neutral
Formula: C9H16N4O2
SMILES:   O(C)c1nc(nc(OC)n1)NC(C)(C)C
InChI:   InChI=1/C9H16N4O2/c1-9(2,3)13-6-10-7(14-4)12-8(11-6)15-5/h1-5H3,(H,10,11,12,13)

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Potential Energy
Epot(MMFF94)=-22.8474 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.253 g/mol  logS: -3.13427  SlogP: 1.0992  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.080657  Sterimol/B1: 2.37452  Sterimol/B2: 4.33925  Sterimol/B3: 4.87471
  Sterimol/B4: 4.88732  Sterimol/L: 12.736 
 
 Surface and Volume Properties
  Accessible surface: 432.056  Positive charged surface: 339.724  Negative charged surface: 92.3322  Volume: 209.125
  Hydrophobic surface: 287.34  Hydrophilic surface: 144.716
 
 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.