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PUBCHEM-ZINC05889426

MMsINC code: MMs03430953

Type: Neutral
Formula: C10H11Cl2NO4S2
SMILES:   Clc1cccc(Cl)c1NS(=O)(=O)C1CCS(=O)(=O)C1
InChI:   InChI=1/C10H11Cl2NO4S2/c11-8-2-1-3-9(12)10(8)13-19(16,17)7-4-5-18(14,15)6-7/h1-3,7,13H,4-6H2/t7-/m1/s1

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=52.306 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.239 g/mol  logS: -3.15322  SlogP: 1.9222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.179638  Sterimol/B1: 2.83245  Sterimol/B2: 3.46249  Sterimol/B3: 4.52746
  Sterimol/B4: 5.76098  Sterimol/L: 12.5208 
 
 Surface and Volume Properties
  Accessible surface: 459.523  Positive charged surface: 181.571  Negative charged surface: 277.952  Volume: 250.875
  Hydrophobic surface: 322.127  Hydrophilic surface: 137.396
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.