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APOLLO-ZINC02157208

 MMsINC code: MMs00050722
Type: Neutral
Formula: C16H10Cl4N2O3S
SMILES:   Clc1ccc(S(=O)(=O)Cc2cc(ccc2)-c2nc(on2)C(Cl)(Cl)Cl)cc1
InChI:   InChI=1/C16H10Cl4N2O3S/c17-12-4-6-13(7-5-12)26(23,24)9-10-2-1-3-11(8-10)14-21-15(25-22-14)16(18,19)20/h1-8H,9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=94.9315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.145 g/mol  logS: -8.20793  SlogP: 5.7685  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0234219  Sterimol/B1: 2.53926  Sterimol/B2: 3.41426  Sterimol/B3: 3.51356
  Sterimol/B4: 7.9727  Sterimol/L: 19.7312 
 
 Surface and Volume Properties
  Accessible surface: 640.94  Positive charged surface: 184.709  Negative charged surface: 456.231  Volume: 343.125
  Hydrophobic surface: 367.094  Hydrophilic surface: 273.846
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.