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OAKWOOD-ZINC02511088

 MMsINC code: MMs02544049
Type: Neutral
Formula: C7H6Cl2S
SMILES:   Clc1cccc(Cl)c1SC
InChI:   InChI=1/C7H6Cl2S/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.9816 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: 0.0730759  Sterimol/B1: 2.06498  Sterimol/B2: 3.72936  Sterimol/B3: 4.75115
  Sterimol/B4: 4.75302  Sterimol/L: 10.3037 
 
 Surface and Volume Properties
  Accessible surface: 341.697  Positive charged surface: 120.572  Negative charged surface: 221.125  Volume: 160
  Hydrophobic surface: 311.536  Hydrophilic surface: 30.161
 
 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.