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PUBCHEM-ZINC06870688

 MMsINC code: MMs03884345
Type: Neutral
Formula: C6H10N4O
SMILES:   O(CC)c1nc(N)cc(n1)N
InChI:   InChI=1/C6H10N4O/c1-2-11-6-9-4(7)3-5(8)10-6/h3H,2H2,1H3,(H4,7,8,9,10)

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Potential Energy
Epot(MMFF94)=-19.0619 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.173 g/mol  logS: -1.33135  SlogP: 0.0397  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0205029  Sterimol/B1: 2.37455  Sterimol/B2: 2.37593  Sterimol/B3: 3.86009
  Sterimol/B4: 4.97368  Sterimol/L: 11.3662 
 
 Surface and Volume Properties
  Accessible surface: 354.922  Positive charged surface: 267.056  Negative charged surface: 87.8655  Volume: 145.25
  Hydrophobic surface: 134.03  Hydrophilic surface: 220.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.