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CHEMBRIDGE-ZINC01166049

 MMsINC code: MMs00677893
Type: Neutral
Formula: C18H12Cl2N2O2S
SMILES:   Clc1ccc(Cl)cc1C(=O)Nc1cc(NC(=O)c2sccc2)ccc1
InChI:   InChI=1/C18H12Cl2N2O2S/c19-11-6-7-15(20)14(9-11)17(23)21-12-3-1-4-13(10-12)22-18(24)16-5-2-8-25-16/h1-10H,(H,21,23)(H,22,24)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.731 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.278 g/mol  logS: -6.60011  SlogP: 5.5595  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0197377  Sterimol/B1: 2.52287  Sterimol/B2: 3.11326  Sterimol/B3: 3.51358
  Sterimol/B4: 8.33944  Sterimol/L: 18.7075 
 
 Surface and Volume Properties
  Accessible surface: 609.888  Positive charged surface: 237.454  Negative charged surface: 372.435  Volume: 327.75
  Hydrophobic surface: 541.396  Hydrophilic surface: 68.492
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.