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ACROSORGANICS-ZINC00160339

 MMsINC code: MMs00005911
Type: Neutral
Formula: C7H5FO3
SMILES:   Fc1cc(C(O)=O)c(O)cc1
InChI:   InChI=1/C7H5FO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=26.9688 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.112 g/mol  logS: -1.28731  SlogP: 1.2295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00915699  Sterimol/B1: 2.16626  Sterimol/B2: 2.19677  Sterimol/B3: 3.85692
  Sterimol/B4: 4.2997  Sterimol/L: 9.80799 
 
 Surface and Volume Properties
  Accessible surface: 303.878  Positive charged surface: 158.972  Negative charged surface: 144.907  Volume: 127.125
  Hydrophobic surface: 171.592  Hydrophilic surface: 132.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00005912
ACROSORGANICS-ZINC00160339