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NCID-ZINC05046535

 MMsINC code: MMs02432000
Type: Neutral
Formula: C9H10N6
SMILES:   N\1N(N=N/C/1=N/N=C/c1ccccc1)C
InChI:   InChI=1/C9H10N6/c1-15-13-9(12-14-15)11-10-7-8-5-3-2-4-6-8/h2-7H,1H3,(H,11,13)/b10-7+

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Potential Energy
Epot(MMFF94)=75.0886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.221 g/mol  logS: -1.81246  SlogP: 1.1937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00392194  Sterimol/B1: 2.10107  Sterimol/B2: 2.51282  Sterimol/B3: 3.78829
  Sterimol/B4: 4.11358  Sterimol/L: 15.1111 
 
 Surface and Volume Properties
  Accessible surface: 435.668  Positive charged surface: 272.218  Negative charged surface: 163.45  Volume: 191.625
  Hydrophobic surface: 326.729  Hydrophilic surface: 108.939
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.