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ENAMINE-ZINC03298477

 MMsINC code: MMs01357185
Type: Neutral
Formula: C16H12Cl2N2O4S3
SMILES:   Clc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1NS(=O)(=O)c1sccc1
InChI:   InChI=1/C16H12Cl2N2O4S3/c17-11-7-8-12(18)15(10-11)26(21,22)19-13-4-1-2-5-14(13)20-27(23,24)16-6-3-9-25-16/h1-10,19-20H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.6244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 463.386 g/mol  logS: -6.14215  SlogP: 4.6565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214955  Sterimol/B1: 2.097  Sterimol/B2: 2.60697  Sterimol/B3: 6.80028
  Sterimol/B4: 7.60762  Sterimol/L: 14.2946 
 
 Surface and Volume Properties
  Accessible surface: 606.487  Positive charged surface: 204.64  Negative charged surface: 401.846  Volume: 349.5
  Hydrophobic surface: 461.076  Hydrophilic surface: 145.411
 
 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: 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.