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PUBCHEM-ZINC05998574

 MMsINC code: MMs03482600
Type: Neutral
Formula: C14H9Cl5O2
SMILES:   Clc1c(-c2cccc(Cl)c2Cl)c(OC)c(OC)c(Cl)c1Cl
InChI:   InChI=1/C14H9Cl5O2/c1-20-13-8(6-4-3-5-7(15)9(6)16)10(17)11(18)12(19)14(13)21-2/h3-5H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=92.8123 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 386.489 g/mol  logS: -7.58347  SlogP: 6.6378  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199594  Sterimol/B1: 2.46546  Sterimol/B2: 2.553  Sterimol/B3: 6.08004
  Sterimol/B4: 8.47668  Sterimol/L: 13.0006 
 
 Surface and Volume Properties
  Accessible surface: 528.025  Positive charged surface: 220.047  Negative charged surface: 307.697  Volume: 296.5
  Hydrophobic surface: 519.854  Hydrophilic surface: 8.1709999999999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.