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NCID-ZINC01683181

 MMsINC code: MMs02316743
Type: Neutral
Formula: C7H9Cl3O4S2
SMILES:   ClC(Cl)(Cl)SSC(CC(OC)=O)C(OC)=O
InChI:   InChI=1/C7H9Cl3O4S2/c1-13-5(11)3-4(6(12)14-2)15-16-7(8,9)10/h4H,3H2,1-2H3/t4-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.0326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 327.636 g/mol  logS: -4.8482  SlogP: 3.2201  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0762318  Sterimol/B1: 2.36686  Sterimol/B2: 3.46431  Sterimol/B3: 3.51385
  Sterimol/B4: 8.83215  Sterimol/L: 12.2337 
 
 Surface and Volume Properties
  Accessible surface: 484.444  Positive charged surface: 230.848  Negative charged surface: 253.597  Volume: 240.625
  Hydrophobic surface: 223.461  Hydrophilic surface: 260.983
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.