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APOLLO-ZINC02392120

 MMsINC code: MMs00052230
Type: Neutral
Formula: C6H5ClOS
SMILES:   ClC(=O)c1scc(c1)C
InChI:   InChI=1/C6H5ClOS/c1-4-2-5(6(7)8)9-3-4/h2-3H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=23.3997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 160.624 g/mol  logS: -2.47817  SlogP: 2.43552  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0254919  Sterimol/B1: 2.1822  Sterimol/B2: 2.51189  Sterimol/B3: 3.19645
  Sterimol/B4: 4.77359  Sterimol/L: 9.81658 
 
 Surface and Volume Properties
  Accessible surface: 317.59  Positive charged surface: 101.539  Negative charged surface: 216.051  Volume: 133.5
  Hydrophobic surface: 202.169  Hydrophilic surface: 115.421
 
 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.