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PUBCHEM-ZINC01213187

 MMsINC code: MMs02788939
Type: Neutral
Formula: C22H15Cl2NO4S
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)Nc1cc(-c2c3c(ccc2O)cccc3)c(O)cc1
InChI:   InChI=1/C22H15Cl2NO4S/c23-14-6-8-18(24)21(11-14)30(28,29)25-15-7-10-19(26)17(12-15)22-16-4-2-1-3-13(16)5-9-20(22)27/h1-12,25-27H

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Potential Energy
Epot(MMFF94)=82.6661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 460.337 g/mol  logS: -8.09566  SlogP: 6.0256  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.149251  Sterimol/B1: 3.69461  Sterimol/B2: 4.34066  Sterimol/B3: 5.49217
  Sterimol/B4: 6.203  Sterimol/L: 15.7985 
 
 Surface and Volume Properties
  Accessible surface: 639.122  Positive charged surface: 282.167  Negative charged surface: 348.939  Volume: 379.25
  Hydrophobic surface: 497.275  Hydrophilic surface: 141.847
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.