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PUBCHEM-ZINC03641634

 MMsINC code: MMs03031422
Type: Neutral
Formula: C6H11Cl2O4P
SMILES:   ClC(Cl)=COP(OC(C)C)(OC)=O
InChI:   InChI=1/C6H11Cl2O4P/c1-5(2)12-13(9,10-3)11-4-6(7)8/h4-5H,1-3H3/t13-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.8275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 249.03 g/mol  logS: -2.32322  SlogP: 2.4977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102013  Sterimol/B1: 3.77426  Sterimol/B2: 3.89326  Sterimol/B3: 3.89808
  Sterimol/B4: 4.75249  Sterimol/L: 13.0466 
 
 Surface and Volume Properties
  Accessible surface: 435.142  Positive charged surface: 198.033  Negative charged surface: 237.109  Volume: 197.5
  Hydrophobic surface: 336.349  Hydrophilic surface: 98.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.