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NCID-ZINC01597233

 MMsINC code: MMs02251129
Type: Neutral
Formula: C10H8Cl4O2
SMILES:   Clc1c(OC(=O)CCC)c(Cl)cc(Cl)c1Cl
InChI:   InChI=1/C10H8Cl4O2/c1-2-3-7(15)16-10-6(12)4-5(11)8(13)9(10)14/h4H,2-3H2,1H3

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.984 g/mol  logS: -5.39255  SlogP: 5.0057  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0505972  Sterimol/B1: 2.76097  Sterimol/B2: 3.05059  Sterimol/B3: 4.65015
  Sterimol/B4: 4.8486  Sterimol/L: 14.4826 
 
 Surface and Volume Properties
  Accessible surface: 463.085  Positive charged surface: 162.648  Negative charged surface: 300.437  Volume: 230.875
  Hydrophobic surface: 416.275  Hydrophilic surface: 46.81
 
 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.