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PUBCHEM-ZINC05889437

 MMsINC code: MMs03430959
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-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.1937 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: 0.204194  Sterimol/B1: 3.38422  Sterimol/B2: 3.40663  Sterimol/B3: 5.18731
  Sterimol/B4: 6.09984  Sterimol/L: 11.3943 
 
 Surface and Volume Properties
  Accessible surface: 455.632  Positive charged surface: 178.402  Negative charged surface: 277.23  Volume: 251.5
  Hydrophobic surface: 316.739  Hydrophilic surface: 138.893
 
 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.