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PUBCHEM-ZINC05821562

 MMsINC code: MMs03400591
Type: Neutral
Formula: C10H9Cl5O
SMILES:   Clc1c(OCCCC)c(Cl)c(Cl)c(Cl)c1Cl
InChI:   InChI=1/C10H9Cl5O/c1-2-3-4-16-10-8(14)6(12)5(11)7(13)9(10)15/h2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.5385 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.446 g/mol  logS: -6.15091  SlogP: 6.1325  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0424392  Sterimol/B1: 2.71715  Sterimol/B2: 2.72822  Sterimol/B3: 4.74877
  Sterimol/B4: 4.75114  Sterimol/L: 14.7342 
 
 Surface and Volume Properties
  Accessible surface: 480.07  Positive charged surface: 173.409  Negative charged surface: 306.661  Volume: 243
  Hydrophobic surface: 451.162  Hydrophilic surface: 28.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.