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PUBCHEM-ZINC05861602

 MMsINC code: MMs03422136
Type: Neutral
Formula: C10H12Cl3O3P
SMILES:   Clc1cc(Cl)c(Cl)cc1OP(OCC)(=O)CC
InChI:   InChI=1/C10H12Cl3O3P/c1-3-15-17(14,4-2)16-10-6-8(12)7(11)5-9(10)13/h5-6H,3-4H2,1-2H3/t17-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=39.7424 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.536 g/mol  logS: -4.17075  SlogP: 4.2049  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195064  Sterimol/B1: 2.03197  Sterimol/B2: 3.13974  Sterimol/B3: 5.13502
  Sterimol/B4: 7.58868  Sterimol/L: 13.4915 
 
 Surface and Volume Properties
  Accessible surface: 480.175  Positive charged surface: 210.058  Negative charged surface: 270.116  Volume: 252.625
  Hydrophobic surface: 407.421  Hydrophilic surface: 72.754
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.