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APOLLO-ZINC02382193

 MMsINC code: MMs00051778
Type: Neutral
Formula: C8H8F2OS
SMILES:   S(C(F)F)c1ccccc1CO
InChI:   InChI=1/C8H8F2OS/c9-8(10)12-7-4-2-1-3-6(7)5-11/h1-4,8,11H,5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.3954 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.213 g/mol  logS: -2.26117  SlogP: 3.1799  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0425937  Sterimol/B1: 2.43116  Sterimol/B2: 2.63681  Sterimol/B3: 2.63932
  Sterimol/B4: 6.09796  Sterimol/L: 10.1566 
 
 Surface and Volume Properties
  Accessible surface: 350.826  Positive charged surface: 179.346  Negative charged surface: 171.48  Volume: 161.125
  Hydrophobic surface: 194.797  Hydrophilic surface: 156.029
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.