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OAKWOOD-ZINC02511087

 MMsINC code: MMs02544048
Type: Neutral
Formula: C7H6Cl2S
SMILES:   Clc1c(SC)cccc1Cl
InChI:   InChI=1/C7H6Cl2S/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.2526 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.097 g/mol  logS: -3.87486  SlogP: 3.7153  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0193022  Sterimol/B1: 2.37356  Sterimol/B2: 2.37683  Sterimol/B3: 4.19545
  Sterimol/B4: 4.92039  Sterimol/L: 11.198 
 
 Surface and Volume Properties
  Accessible surface: 345.728  Positive charged surface: 121.716  Negative charged surface: 224.012  Volume: 159.75
  Hydrophobic surface: 310.563  Hydrophilic surface: 35.165
 
 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.