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ASINEX-ZINC00348055

 MMsINC code: MMs00122085
Type: Neutral
Formula: C8H6Cl4O2
SMILES:   Clc1c(CO)c(Cl)c(Cl)c(CO)c1Cl
InChI:   InChI=1/C8H6Cl4O2/c9-5-3(1-13)6(10)8(12)4(2-14)7(5)11/h13-14H,1-2H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.9473 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.946 g/mol  logS: -3.86408  SlogP: 3.8176  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0516619  Sterimol/B1: 2.40261  Sterimol/B2: 3.06251  Sterimol/B3: 4.7447
  Sterimol/B4: 4.7466  Sterimol/L: 11.5455 
 
 Surface and Volume Properties
  Accessible surface: 403.27  Positive charged surface: 155.022  Negative charged surface: 248.247  Volume: 200.25
  Hydrophobic surface: 285.84  Hydrophilic surface: 117.43
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.