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PUBCHEM-ZINC06974495

 MMsINC code: MMs03908588
Type: Neutral
Formula: C9H9FN6
SMILES:   Fc1cc(N=Nc2c(n[nH]c2N)N)ccc1
InChI:   InChI=1/C9H9FN6/c10-5-2-1-3-6(4-5)13-14-7-8(11)15-16-9(7)12/h1-4H,(H5,11,12,15,16)/b14-13-

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Potential Energy
Epot(MMFF94)=82.4781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.211 g/mol  logS: -2.07298  SlogP: 2.1286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.241801  Sterimol/B1: 2.25391  Sterimol/B2: 2.96631  Sterimol/B3: 4.48462
  Sterimol/B4: 6.05142  Sterimol/L: 11.1064 
 
 Surface and Volume Properties
  Accessible surface: 386.118  Positive charged surface: 217.192  Negative charged surface: 168.927  Volume: 187.625
  Hydrophobic surface: 212.789  Hydrophilic surface: 173.329
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.