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APOLLO-ZINC02382244

 MMsINC code: MMs00051799
Type: Ionized
Formula: C8H5ClFO2-
SMILES:   Clc1cc(ccc1F)CC(=O)[O-]
InChI:   InChI=1/C8H6ClFO2/c9-6-3-5(4-8(11)12)1-2-7(6)10/h1-3H,4H2,(H,11,12)/p-1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.7726 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 187.577 g/mol  logS: -2.70547  SlogP: 0.77147  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0973621  Sterimol/B1: 2.48124  Sterimol/B2: 2.52339  Sterimol/B3: 3.2411
  Sterimol/B4: 5.83172  Sterimol/L: 9.96556 
 
 Surface and Volume Properties
  Accessible surface: 342.214  Positive charged surface: 122.891  Negative charged surface: 219.322  Volume: 149.875
  Hydrophobic surface: 254.347  Hydrophilic surface: 87.867
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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:


MMs00051798
APOLLO-ZINC02382244