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APOLLO-ZINC02379381

 MMsINC code: MMs00051499
Type: Neutral
Formula: C8H7F3OS
SMILES:   S(C)c1ccc(OC(F)(F)F)cc1
InChI:   InChI=1/C8H7F3OS/c1-13-7-4-2-6(3-5-7)12-8(9,10)11/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.8514 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.203 g/mol  logS: -3.59561  SlogP: 3.727  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308053  Sterimol/B1: 2.20831  Sterimol/B2: 2.6373  Sterimol/B3: 2.63884
  Sterimol/B4: 5.20788  Sterimol/L: 12.4325 
 
 Surface and Volume Properties
  Accessible surface: 367.184  Positive charged surface: 133.828  Negative charged surface: 233.357  Volume: 163.5
  Hydrophobic surface: 203.895  Hydrophilic surface: 163.289
 
 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.