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ACROSORGANICS-ZINC00164841

 MMsINC code: MMs00006298
Type: Neutral
Formula: C7H4FNO
SMILES:   Fc1ccc(N=C=O)cc1
InChI:   InChI=1/C7H4FNO/c8-6-1-3-7(4-2-6)9-5-10/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.5491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 137.113 g/mol  logS: -1.61017  SlogP: 1.793  Reactive groups: 1
 
 Topological Properties
  Globularity: 2.12294e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09892  Sterimol/B3: 2.55882
  Sterimol/B4: 5.32825  Sterimol/L: 10.2167 
 
 Surface and Volume Properties
  Accessible surface: 292.121  Positive charged surface: 136.915  Negative charged surface: 155.205  Volume: 122.875
  Hydrophobic surface: 201.546  Hydrophilic surface: 90.575
 
 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.