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MAYBRIDGE-ZINC02168538

 MMsINC code: MMs02159465
Type: Neutral
Formula: C13H8Cl4S2
SMILES:   Clc1cccc(Cl)c1SCSc1c(Cl)cccc1Cl
InChI:   InChI=1/C13H8Cl4S2/c14-8-3-1-4-9(15)12(8)18-7-19-13-10(16)5-2-6-11(13)17/h1-6H,7H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.8325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.151 g/mol  logS: -7.86468  SlogP: 7.1421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116423  Sterimol/B1: 3.21213  Sterimol/B2: 4.45763  Sterimol/B3: 4.87994
  Sterimol/B4: 5.82563  Sterimol/L: 13.4487 
 
 Surface and Volume Properties
  Accessible surface: 511.395  Positive charged surface: 167.538  Negative charged surface: 343.857  Volume: 288.875
  Hydrophobic surface: 465.162  Hydrophilic surface: 46.233
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.