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CHEMDIV-ZINC02022824

 MMsINC code: MMs00869678
Type: Neutral
Formula: C26H17ClO6S
SMILES:   Clc1ccc(S(=O)(=O)c2cc(OC(=O)c3ccccc3)ccc2OC(=O)c2ccccc2)cc1
InChI:   InChI=1/C26H17ClO6S/c27-20-11-14-22(15-12-20)34(30,31)24-17-21(32-25(28)18-7-3-1-4-8-18)13-16-23(24)33-26(29)19-9-5-2-6-10-19/h1-17H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=137.131 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 492.935 g/mol  logS: -8.31184  SlogP: 5.6112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0587497  Sterimol/B1: 3.65463  Sterimol/B2: 4.46306  Sterimol/B3: 4.6271
  Sterimol/B4: 7.93746  Sterimol/L: 20.4919 
 
 Surface and Volume Properties
  Accessible surface: 735.936  Positive charged surface: 319.397  Negative charged surface: 416.539  Volume: 426.375
  Hydrophobic surface: 634.742  Hydrophilic surface: 101.194
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: 0
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Ions/Tautomers related molecules: no related molecules available.