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NCID-ZINC01583239

 MMsINC code: MMs02240129
Type: Neutral
Formula: C18H12Cl4N2O4S2
SMILES:   Clc1c(NS(=O)(=O)c2ccccc2)c(NS(=O)(=O)c2ccccc2)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C18H12Cl4N2O4S2/c19-13-14(20)16(22)18(24-30(27,28)12-9-5-2-6-10-12)17(15(13)21)23-29(25,26)11-7-3-1-4-8-11/h1-10,23-24H

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Potential Energy
Epot(MMFF94)=98.0695 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 526.248 g/mol  logS: -7.64572  SlogP: 5.9018  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.276224  Sterimol/B1: 3.43819  Sterimol/B2: 4.42142  Sterimol/B3: 5.9063
  Sterimol/B4: 8.54442  Sterimol/L: 13.7508 
 
 Surface and Volume Properties
  Accessible surface: 627.695  Positive charged surface: 203.188  Negative charged surface: 424.507  Volume: 389.5
  Hydrophobic surface: 526.183  Hydrophilic surface: 101.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.