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ACROSORGANICS-ZINC00262409

 MMsINC code: MMs00006571
Type: Ionized
Formula: C8H6FO3-
SMILES:   Fc1ccccc1OCC(=O)[O-]
InChI:   InChI=1/C8H7FO3/c9-6-3-1-2-4-7(6)12-5-8(10)11/h1-4H,5H2,(H,10,11)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.131 g/mol  logS: -1.98653  SlogP: -0.0456  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0379765  Sterimol/B1: 2.51405  Sterimol/B2: 2.95337  Sterimol/B3: 2.95354
  Sterimol/B4: 5.39692  Sterimol/L: 11.3118 
 
 Surface and Volume Properties
  Accessible surface: 344.071  Positive charged surface: 158.052  Negative charged surface: 186.019  Volume: 144.5
  Hydrophobic surface: 241.025  Hydrophilic surface: 103.046
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 2  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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Parent related molecule:


MMs00006570
ACROSORGANICS-ZINC00262409