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APOLLO-ZINC02243327

 MMsINC code: MMs00051218
Type: Neutral
Formula: C8H5ClF2O2
SMILES:   Clc1cc(F)c(CC(O)=O)c(F)c1
InChI:   InChI=1/C8H5ClF2O2/c9-4-1-6(10)5(3-8(12)13)7(11)2-4/h1-2H,3H2,(H,12,13)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.2144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.575 g/mol  logS: -2.74  SlogP: 2.24527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104925  Sterimol/B1: 2.66717  Sterimol/B2: 2.92974  Sterimol/B3: 3.22543
  Sterimol/B4: 5.06305  Sterimol/L: 11.8451 
 
 Surface and Volume Properties
  Accessible surface: 349.626  Positive charged surface: 139.373  Negative charged surface: 210.253  Volume: 154.75
  Hydrophobic surface: 258.309  Hydrophilic surface: 91.317
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00051219
APOLLO-ZINC02243327