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NCID-ZINC01582390

 MMsINC code: MMs02239463
Type: Neutral
Formula: C5H4F2N2
SMILES:   Fc1nc(F)nc(c1)C
InChI:   InChI=1/C5H4F2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3

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Potential Energy
Epot(MMFF94)=-1.93757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 130.097 g/mol  logS: -2.10409  SlogP: 1.06322  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0388357  Sterimol/B1: 2.09849  Sterimol/B2: 2.51209  Sterimol/B3: 3.75679
  Sterimol/B4: 3.86087  Sterimol/L: 8.03754 
 
 Surface and Volume Properties
  Accessible surface: 274.597  Positive charged surface: 126.984  Negative charged surface: 147.613  Volume: 103.25
  Hydrophobic surface: 203.652  Hydrophilic surface: 70.945
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.