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PUBCHEM-ZINC04976290

 MMsINC code: MMs03187015
Type: Neutral
Formula: C6H4Cl2S2
SMILES:   Clc1ccc(Cl)c(S)c1S
InChI:   InChI=1/C6H4Cl2S2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.136 g/mol  logS: -4.88942  SlogP: 3.5708  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0431672  Sterimol/B1: 2.09789  Sterimol/B2: 2.78336  Sterimol/B3: 4.47523
  Sterimol/B4: 5.86042  Sterimol/L: 8.47579 
 
 Surface and Volume Properties
  Accessible surface: 343.834  Positive charged surface: 108.215  Negative charged surface: 235.62  Volume: 158.375
  Hydrophobic surface: 263.893  Hydrophilic surface: 79.941
 
 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.