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PUBCHEM-ZINC02148035

 MMsINC code: MMs02876842
Type: Neutral
Formula: C18H16ClNO4S4
SMILES:   Clc1ccc(S(=O)(=O)CCSc2ccccc2NS(=O)(=O)c2sccc2)cc1
InChI:   InChI=1/C18H16ClNO4S4/c19-14-7-9-15(10-8-14)27(21,22)13-12-25-17-5-2-1-4-16(17)20-28(23,24)18-6-3-11-26-18/h1-11,20H,12-13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.3585 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.046 g/mol  logS: -6.70245  SlogP: 4.7683  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0847902  Sterimol/B1: 2.45334  Sterimol/B2: 3.7791  Sterimol/B3: 5.36074
  Sterimol/B4: 8.61217  Sterimol/L: 18.443 
 
 Surface and Volume Properties
  Accessible surface: 687.465  Positive charged surface: 271.148  Negative charged surface: 416.317  Volume: 379.375
  Hydrophobic surface: 529.971  Hydrophilic surface: 157.494
 
 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: 0  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.