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NCID-ZINC01726246

 MMsINC code: MMs02349966
Type: Neutral
Formula: C10H10Cl4O2
SMILES:   Clc1c(OCCCC)c(Cl)c(Cl)c(O)c1Cl
InChI:   InChI=1/C10H10Cl4O2/c1-2-3-4-16-10-7(13)5(11)9(15)6(12)8(10)14/h15H,2-4H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.6402 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304 g/mol  logS: -5.05467  SlogP: 5.1847  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0373401  Sterimol/B1: 2.69005  Sterimol/B2: 2.72257  Sterimol/B3: 4.74959
  Sterimol/B4: 4.75053  Sterimol/L: 14.2663 
 
 Surface and Volume Properties
  Accessible surface: 475.693  Positive charged surface: 202.69  Negative charged surface: 273.004  Volume: 236.875
  Hydrophobic surface: 407.73  Hydrophilic surface: 67.963
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.