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ACROSORGANICS-ZINC00164839

 MMsINC code: MMs00006297
Type: Neutral
Formula: C7H4FNO
SMILES:   Fc1ccccc1N=C=O
InChI:   InChI=1/C7H4FNO/c8-6-3-1-2-4-7(6)9-5-10/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.0219 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: 2.06508e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09907  Sterimol/B3: 2.55893
  Sterimol/B4: 5.63701  Sterimol/L: 9.94629 
 
 Surface and Volume Properties
  Accessible surface: 292.482  Positive charged surface: 137.101  Negative charged surface: 155.381  Volume: 119.875
  Hydrophobic surface: 204.767  Hydrophilic surface: 87.715
 
 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.