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OAKWOOD-ZINC04264456

 MMsINC code: MMs02550511
Type: Neutral
Formula: C7H4ClFOS
SMILES:   ClC(Sc1ccc(F)cc1)=O
InChI:   InChI=1/C7H4ClFOS/c8-7(10)11-6-3-1-5(9)2-4-6/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.6071 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: 0.0769892  Sterimol/B1: 2.44658  Sterimol/B2: 3.15676  Sterimol/B3: 3.31126
  Sterimol/B4: 4.91847  Sterimol/L: 11.6686 
 
 Surface and Volume Properties
  Accessible surface: 337.638  Positive charged surface: 104.447  Negative charged surface: 233.191  Volume: 148
  Hydrophobic surface: 191.199  Hydrophilic surface: 146.439
 
 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.