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CHEMSTAR-ZINC01585904

 MMsINC code: MMs01078882
Type: Neutral
Formula: C4H4FN3
SMILES:   Fc1nc(N)ccn1
InChI:   InChI=1/C4H4FN3/c5-4-7-2-1-3(6)8-4/h1-2H,(H2,6,7,8)

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Potential Energy
Epot(MMFF94)=-5.62146 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 113.095 g/mol  logS: -1.2166  SlogP: 0.1979  Reactive groups: 1
 
 Topological Properties
  Globularity: 4.36588e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09889  Sterimol/B3: 2.56494
  Sterimol/B4: 4.7819  Sterimol/L: 7.86743 
 
 Surface and Volume Properties
  Accessible surface: 253.073  Positive charged surface: 155.63  Negative charged surface: 97.443  Volume: 95.75
  Hydrophobic surface: 123.918  Hydrophilic surface: 129.155
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.