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OAKWOOD-ZINC04244659

 MMsINC code: MMs02549347
Type: Neutral
Formula: C8H7F3S
SMILES:   SCc1ccccc1C(F)(F)F
InChI:   InChI=1/C8H7F3S/c9-8(10,11)7-4-2-1-3-6(7)5-12/h1-4,12H,5H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=41.8353 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.204 g/mol  logS: -3.40345  SlogP: 3.7131  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0983741  Sterimol/B1: 2.74057  Sterimol/B2: 2.83776  Sterimol/B3: 3.41984
  Sterimol/B4: 5.96245  Sterimol/L: 10.0948 
 
 Surface and Volume Properties
  Accessible surface: 340.048  Positive charged surface: 137.539  Negative charged surface: 202.509  Volume: 155
  Hydrophobic surface: 202.929  Hydrophilic surface: 137.119
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.