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OAKWOOD-ZINC04244667

 MMsINC code: MMs02549355
Type: Neutral
Formula: C7H6ClFS
SMILES:   Clc1cccc(CS)c1F
InChI:   InChI=1/C7H6ClFS/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=22.7103 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 176.642 g/mol  logS: -3.37617  SlogP: 3.1753  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0643372  Sterimol/B1: 2.44229  Sterimol/B2: 2.48373  Sterimol/B3: 3.36754
  Sterimol/B4: 5.90265  Sterimol/L: 10.2166 
 
 Surface and Volume Properties
  Accessible surface: 335.51  Positive charged surface: 139.344  Negative charged surface: 196.166  Volume: 147.375
  Hydrophobic surface: 275.939  Hydrophilic surface: 59.571
 
 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.