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ENAMINE-ZINC03272921

 MMsINC code: MMs01343639
Type: Neutral
Formula: C8H5Cl3FNS3
SMILES:   ClC(Cl)(Cl)SSC(=S)Nc1ccc(F)cc1
InChI:   InChI=1/C8H5Cl3FNS3/c9-8(10,11)16-15-7(14)13-6-3-1-5(12)2-4-6/h1-4H,(H,13,14)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.3873 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 336.69 g/mol  logS: -7.73227  SlogP: 5.6515  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0882598  Sterimol/B1: 3.01693  Sterimol/B2: 3.03862  Sterimol/B3: 4.47564
  Sterimol/B4: 4.6805  Sterimol/L: 13.8849 
 
 Surface and Volume Properties
  Accessible surface: 460.699  Positive charged surface: 111.173  Negative charged surface: 349.526  Volume: 238.125
  Hydrophobic surface: 221.122  Hydrophilic surface: 239.577
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.