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PUBCHEM-ZINC01146216

 MMsINC code: MMs02778897
Type: Neutral
Formula: C18H20Cl2N2O4S2
SMILES:   Clc1ccc(S(=O)(=O)NC2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChI:   InChI=1/C18H20Cl2N2O4S2/c19-13-5-9-15(10-6-13)27(23,24)21-17-3-1-2-4-18(17)22-28(25,26)16-11-7-14(20)8-12-16/h5-12,17-18,21-22H,1-4H2/t17-,18-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.4496 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 463.406 g/mol  logS: -5.27968  SlogP: 3.5614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.28852  Sterimol/B1: 2.97619  Sterimol/B2: 4.21923  Sterimol/B3: 5.2675
  Sterimol/B4: 8.7235  Sterimol/L: 14.8582 
 
 Surface and Volume Properties
  Accessible surface: 622.506  Positive charged surface: 264.61  Negative charged surface: 357.897  Volume: 377
  Hydrophobic surface: 504.262  Hydrophilic surface: 118.244
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.