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IBS-ZINC00501841

 MMsINC code: MMs01741635
Type: Neutral
Formula: C6H10N3O2+
SMILES:   O\C(=N\O)\Cn1cc[n+](c1)C
InChI:   InChI=1/C6H9N3O2/c1-8-2-3-9(5-8)4-6(10)7-11/h2-3,5H,4H2,1H3,(H-,7,10,11)/p+1

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Potential Energy
Epot(MMFF94)=42.5855 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.165 g/mol  logS: 0.43621  SlogP: 0.2839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180195  Sterimol/B1: 2.84779  Sterimol/B2: 3.29228  Sterimol/B3: 3.8869
  Sterimol/B4: 4.34008  Sterimol/L: 10.8692 
 
 Surface and Volume Properties
  Accessible surface: 352.504  Positive charged surface: 303.768  Negative charged surface: 48.7361  Volume: 146.375
  Hydrophobic surface: 149.769  Hydrophilic surface: 202.735
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.