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ASINEX-ZINC01526696

 MMsINC code: MMs00255228
Type: Neutral
Formula: C10H6FNO
SMILES:   Fc1cc2c(nc(cc2)C=O)cc1
InChI:   InChI=1/C10H6FNO/c11-8-2-4-10-7(5-8)1-3-9(6-13)12-10/h1-6H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.1892 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 175.162 g/mol  logS: -2.42743  SlogP: 2.1864  Reactive groups: 1
 
 Topological Properties
  Globularity: 1.33587e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09868  Sterimol/B3: 2.55262
  Sterimol/B4: 5.74704  Sterimol/L: 11.366 
 
 Surface and Volume Properties
  Accessible surface: 341.282  Positive charged surface: 170.977  Negative charged surface: 164.769  Volume: 157.5
  Hydrophobic surface: 251.928  Hydrophilic surface: 89.354
 
 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.