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MAYBRIDGE-ZINC02154246

 MMsINC code: MMs02158935
Type: Neutral
Formula: C15H9ClOS3
SMILES:   Clc1ccc(SC(=O)c2sc(cc2)-c2sccc2)cc1
InChI:   InChI=1/C15H9ClOS3/c16-10-3-5-11(6-4-10)19-15(17)14-8-7-13(20-14)12-2-1-9-18-12/h1-9H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.2005 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.887 g/mol  logS: -7.12018  SlogP: 6.0625  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0386344  Sterimol/B1: 2.42958  Sterimol/B2: 3.6513  Sterimol/B3: 3.71422
  Sterimol/B4: 5.5274  Sterimol/L: 19.269 
 
 Surface and Volume Properties
  Accessible surface: 545.21  Positive charged surface: 194.239  Negative charged surface: 350.97  Volume: 284.375
  Hydrophobic surface: 488.069  Hydrophilic surface: 57.141
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.