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PUBCHEM-ZINC02835325

 MMsINC code: MMs02933855
Type: Neutral
Formula: C15H14Cl2O3S
SMILES:   Clc1ccc(Cl)cc1OS(=O)(=O)c1ccc(C)c(C)c1C
InChI:   InChI=1/C15H14Cl2O3S/c1-9-4-7-15(11(3)10(9)2)21(18,19)20-14-8-12(16)5-6-13(14)17/h4-8H,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=101.878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 345.246 g/mol  logS: -6.0591  SlogP: 4.68636  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146691  Sterimol/B1: 3.61421  Sterimol/B2: 3.64745  Sterimol/B3: 4.18961
  Sterimol/B4: 6.55934  Sterimol/L: 12.8748 
 
 Surface and Volume Properties
  Accessible surface: 509.416  Positive charged surface: 202.742  Negative charged surface: 306.674  Volume: 285.25
  Hydrophobic surface: 455.626  Hydrophilic surface: 53.79
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.