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ENAMINE-ZINC05572668

 MMsINC code: MMs01623912
Type: Neutral
Formula: C17H12Cl2N2O2S2
SMILES:   Clc1ccc(Cl)cc1N\C(=N\S(=O)(=O)c1sccc1)\c1ccccc1
InChI:   InChI=1/C17H12Cl2N2O2S2/c18-13-8-9-14(19)15(11-13)20-17(12-5-2-1-3-6-12)21-25(22,23)16-7-4-10-24-16/h1-11H,(H,20,21)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=112.707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 411.333 g/mol  logS: -6.93018  SlogP: 5.3025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0976037  Sterimol/B1: 2.45112  Sterimol/B2: 3.68929  Sterimol/B3: 4.95154
  Sterimol/B4: 9.23487  Sterimol/L: 15.3719 
 
 Surface and Volume Properties
  Accessible surface: 599.648  Positive charged surface: 208.972  Negative charged surface: 390.676  Volume: 332.25
  Hydrophobic surface: 541.25  Hydrophilic surface: 58.398
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1
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Ions/Tautomers related molecules: no related molecules available.