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NCID-ZINC01620986

 MMsINC code: MMs02268946
Type: Neutral
Formula: C8H4Cl6
SMILES:   Clc1c(CCl)c(Cl)c(Cl)c(CCl)c1Cl
InChI:   InChI=1/C8H4Cl6/c9-1-3-5(11)7(13)4(2-10)8(14)6(3)12/h1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.7252 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 312.838 g/mol  logS: -5.79972  SlogP: 6.3106  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0659557  Sterimol/B1: 3.38503  Sterimol/B2: 3.70731  Sterimol/B3: 4.74478
  Sterimol/B4: 4.74633  Sterimol/L: 11.2517 
 
 Surface and Volume Properties
  Accessible surface: 412.996  Positive charged surface: 86.1881  Negative charged surface: 326.808  Volume: 217.125
  Hydrophobic surface: 269.239  Hydrophilic surface: 143.757
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.