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ALFAAESAR-ZINC02560231

 MMsINC code: MMs00023711
Type: Neutral
Formula: C8H7F3OS
SMILES:   S(C(F)(F)F)c1ccc(cc1)CO
InChI:   InChI=1/C8H7F3OS/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4,12H,5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.6481 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.203 g/mol  logS: -3.31625  SlogP: 3.4771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0438281  Sterimol/B1: 2.52391  Sterimol/B2: 2.90512  Sterimol/B3: 2.9067
  Sterimol/B4: 4.83502  Sterimol/L: 12.3125 
 
 Surface and Volume Properties
  Accessible surface: 364.067  Positive charged surface: 149.998  Negative charged surface: 214.069  Volume: 161.125
  Hydrophobic surface: 159.222  Hydrophilic surface: 204.845
 
 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.