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CHEMSTAR-ZINC02565663

 MMsINC code: MMs01081624
Type: Neutral
Formula: C5H7FN4
SMILES:   Fc1nc(nc(NC)c1)N
InChI:   InChI=1/C5H7FN4/c1-8-4-2-3(6)9-5(7)10-4/h2H,1H3,(H3,7,8,9,10)

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Potential Energy
Epot(MMFF94)=-34.9036 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.137 g/mol  logS: -1.32432  SlogP: 0.2396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175712  Sterimol/B1: 2.37507  Sterimol/B2: 2.37532  Sterimol/B3: 2.96649
  Sterimol/B4: 4.97348  Sterimol/L: 10.4123 
 
 Surface and Volume Properties
  Accessible surface: 311.543  Positive charged surface: 222.183  Negative charged surface: 89.3601  Volume: 124.125
  Hydrophobic surface: 142.955  Hydrophilic surface: 168.588
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.