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OAKWOOD-ZINC02511053

 MMsINC code: MMs02544020
Type: Neutral
Formula: C7H7FS
SMILES:   S(C)c1cc(F)ccc1
InChI:   InChI=1/C7H7FS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.0851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 142.197 g/mol  logS: -2.70126  SlogP: 2.5476  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0202268  Sterimol/B1: 2.37495  Sterimol/B2: 2.37516  Sterimol/B3: 3.92303
  Sterimol/B4: 4.25139  Sterimol/L: 10.1637 
 
 Surface and Volume Properties
  Accessible surface: 311.414  Positive charged surface: 143.235  Negative charged surface: 168.179  Volume: 133.125
  Hydrophobic surface: 268.496  Hydrophilic surface: 42.918
 
 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.