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APOLLO-ZINC02381663

 MMsINC code: MMs00051701
Type: Neutral
Formula: C8H8F2O
SMILES:   Fc1c(F)c(OC)ccc1C
InChI:   InChI=1/C8H8F2O/c1-5-3-4-6(11-2)8(10)7(5)9/h3-4H,1-2H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.1578 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.147 g/mol  logS: -2.18569  SlogP: 2.28182  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0276049  Sterimol/B1: 2.37755  Sterimol/B2: 2.51207  Sterimol/B3: 3.15655
  Sterimol/B4: 4.82057  Sterimol/L: 10.9577 
 
 Surface and Volume Properties
  Accessible surface: 328.68  Positive charged surface: 199.481  Negative charged surface: 129.199  Volume: 141.25
  Hydrophobic surface: 319.928  Hydrophilic surface: 8.752
 
 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.