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OAKWOOD-ZINC02541355

 MMsINC code: MMs02545609
Type: Neutral
Formula: C5H3F3S
SMILES:   s1cccc1C(F)(F)F
InChI:   InChI=1/C5H3F3S/c6-5(7,8)4-2-1-3-9-4/h1-3H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.0871 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.139 g/mol  logS: -2.2481  SlogP: 3.0784  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0592463  Sterimol/B1: 2.18335  Sterimol/B2: 2.80234  Sterimol/B3: 2.81635
  Sterimol/B4: 4.41748  Sterimol/L: 8.44188 
 
 Surface and Volume Properties
  Accessible surface: 278.263  Positive charged surface: 66.7384  Negative charged surface: 211.525  Volume: 109.25
  Hydrophobic surface: 171.57  Hydrophilic surface: 106.693
 
 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.