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NCID-ZINC01685385

 MMsINC code: MMs02318580
Type: Neutral
Formula: C11H6Cl4OS2
SMILES:   Clc1sc(cc1)C(=O)C(Cl)C(Cl)c1sc(Cl)cc1
InChI:   InChI=1/C11H6Cl4OS2/c12-7-3-1-5(17-7)9(14)10(15)11(16)6-2-4-8(13)18-6/h1-4,9-10H/t9-,10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.9454 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.112 g/mol  logS: -6.69269  SlogP: 6.402  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0491152  Sterimol/B1: 2.93253  Sterimol/B2: 3.6418  Sterimol/B3: 4.35673
  Sterimol/B4: 5.69227  Sterimol/L: 14.6093 
 
 Surface and Volume Properties
  Accessible surface: 495.771  Positive charged surface: 111.885  Negative charged surface: 383.886  Volume: 261.875
  Hydrophobic surface: 372.86  Hydrophilic surface: 122.911
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.