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ACROSORGANICS-ZINC00388533

 MMsINC code: MMs00007054
Type: Neutral
Formula: C5H3F2N
SMILES:   Fc1nc(F)ccc1
InChI:   InChI=1/C5H3F2N/c6-4-2-1-3-5(7)8-4/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.7402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 115.082 g/mol  logS: -1.33922  SlogP: 1.3598  Reactive groups: 0
 
 Topological Properties
  Globularity: 4.87009e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09868  Sterimol/B3: 2.56475
  Sterimol/B4: 4.60551  Sterimol/L: 7.6101 
 
 Surface and Volume Properties
  Accessible surface: 247.795  Positive charged surface: 98.8219  Negative charged surface: 148.973  Volume: 93
  Hydrophobic surface: 198.088  Hydrophilic surface: 49.707
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.