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ACROSORGANICS-ZINC00157154

 MMsINC code: MMs00005579
Type: Neutral
Formula: C7H5FO
SMILES:   Fc1ccc(cc1)C=O
InChI:   InChI=1/C7H5FO/c8-7-3-1-6(5-9)2-4-7/h1-5H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.1212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.114 g/mol  logS: -1.68597  SlogP: 1.6382  Reactive groups: 1
 
 Topological Properties
  Globularity: 3.09823e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09853  Sterimol/B3: 2.43147
  Sterimol/B4: 4.86771  Sterimol/L: 9.45911 
 
 Surface and Volume Properties
  Accessible surface: 280.387  Positive charged surface: 142.428  Negative charged surface: 137.958  Volume: 113.625
  Hydrophobic surface: 218.772  Hydrophilic surface: 61.615
 
 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.