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NCID-ZINC01737276

 MMsINC code: MMs02358290
Type: Neutral
Formula: C5H9Cl3S2
SMILES:   ClC(Cl)(Cl)SSCCCC
InChI:   InChI=1/C5H9Cl3S2/c1-2-3-4-9-10-5(6,7)8/h2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.62825 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 239.618 g/mol  logS: -5.19414  SlogP: 4.9155  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.107267  Sterimol/B1: 3.36626  Sterimol/B2: 3.51365  Sterimol/B3: 3.79436
  Sterimol/B4: 4.2941  Sterimol/L: 12.2409 
 
 Surface and Volume Properties
  Accessible surface: 393.188  Positive charged surface: 134.76  Negative charged surface: 258.428  Volume: 186.875
  Hydrophobic surface: 144.11  Hydrophilic surface: 249.078
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.