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CHEMBRIDGE-ZINC04737875

 MMsINC code: MMs00781392
Type: Neutral
Formula: C6H11N4O+
SMILES:   O\N=C(\N)/Cn1cc[n+](c1)C
InChI:   InChI=1/C6H10N4O/c1-9-2-3-10(5-9)4-6(7)8-11/h2-3,5H,4H2,1H3,(H2-,7,8,11)/p+1

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Potential Energy
Epot(MMFF94)=48.9471 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.181 g/mol  logS: 0.15349  SlogP: -0.3154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165171  Sterimol/B1: 2.70138  Sterimol/B2: 3.72426  Sterimol/B3: 4.06881
  Sterimol/B4: 4.22618  Sterimol/L: 10.963 
 
 Surface and Volume Properties
  Accessible surface: 359.803  Positive charged surface: 321.965  Negative charged surface: 37.8382  Volume: 153.125
  Hydrophobic surface: 147.432  Hydrophilic surface: 212.371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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.