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PUBCHEM-ZINC03165644

 MMsINC code: MMs03004179
Type: Neutral
Formula: C5H11Cl2O3P
SMILES:   ClC(Cl)P(OCC)(=O)COC
InChI:   InChI=1/C5H11Cl2O3P/c1-3-10-11(8,4-9-2)5(6)7/h5H,3-4H2,1-2H3/t11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=43.2646 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 221.02 g/mol  logS: -0.49922  SlogP: 2.0158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141194  Sterimol/B1: 2.56183  Sterimol/B2: 3.4324  Sterimol/B3: 3.70614
  Sterimol/B4: 5.55547  Sterimol/L: 11.7774 
 
 Surface and Volume Properties
  Accessible surface: 384.621  Positive charged surface: 220.137  Negative charged surface: 164.485  Volume: 177
  Hydrophobic surface: 217.669  Hydrophilic surface: 166.952
 
 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.