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MAYBRIDGE-ZINC04344765

 MMsINC code: MMs02169950
Type: Neutral
Formula: C8H10N6O
SMILES:   O\N=C(\N)/C=1N=Nc2n(nc(c2)C)C=1C
InChI:   InChI=1/C8H10N6O/c1-4-3-6-10-11-7(8(9)13-15)5(2)14(6)12-4/h3,15H,1-2H3,(H2,9,13)

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Potential Energy
Epot(MMFF94)=55.0499 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.209 g/mol  logS: -1.29542  SlogP: 1.22372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0634036  Sterimol/B1: 2.94643  Sterimol/B2: 3.38271  Sterimol/B3: 3.45608
  Sterimol/B4: 4.60286  Sterimol/L: 13.3158 
 
 Surface and Volume Properties
  Accessible surface: 410.037  Positive charged surface: 226.605  Negative charged surface: 183.431  Volume: 182.625
  Hydrophobic surface: 263.387  Hydrophilic surface: 146.65
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.