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OAKWOOD-ZINC04264455

 MMsINC code: MMs02550510
Type: Neutral
Formula: C7H4ClFOS
SMILES:   ClC(Sc1cc(F)ccc1)=O
InChI:   InChI=1/C7H4ClFOS/c8-7(10)11-6-3-1-2-5(9)4-6/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.5984 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.625 g/mol  logS: -3.90981  SlogP: 3.2766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0770631  Sterimol/B1: 2.49784  Sterimol/B2: 3.08254  Sterimol/B3: 3.38288
  Sterimol/B4: 5.08536  Sterimol/L: 11.3992 
 
 Surface and Volume Properties
  Accessible surface: 339.309  Positive charged surface: 104.017  Negative charged surface: 235.292  Volume: 149.125
  Hydrophobic surface: 192.546  Hydrophilic surface: 146.763
 
 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.