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MAYBRIDGE-ZINC01037543

MMsINC code: MMs02152240

Type: Neutral
Formula: C16H10Cl3NO4S3
SMILES:   Clc1cc(S(=O)(=O)Nc2cscc2S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl
InChI:   InChI=1/C16H10Cl3NO4S3/c17-10-1-3-11(4-2-10)26(21,22)16-9-25-8-15(16)20-27(23,24)12-5-6-13(18)14(19)7-12/h1-9,20H

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Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=70.3834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 482.816 g/mol  logS: -6.86789  SlogP: 5.3419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.145962  Sterimol/B1: 3.10407  Sterimol/B2: 3.90461  Sterimol/B3: 5.0028
  Sterimol/B4: 6.94244  Sterimol/L: 16.6864 
 
 Surface and Volume Properties
  Accessible surface: 612.807  Positive charged surface: 151.693  Negative charged surface: 461.114  Volume: 354.375
  Hydrophobic surface: 507.234  Hydrophilic surface: 105.573
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 1  Oprea's lead like rule: 0

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Ions/Tautomers related molecules: no related molecules available.