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PUBCHEM-ZINC02037093

 MMsINC code: MMs02861666
Type: Neutral
Formula: C6H13O5P
SMILES:   P(OC(C(=O)C)C)(OC)(OC)=O
InChI:   InChI=1/C6H13O5P/c1-5(7)6(2)11-12(8,9-3)10-4/h6H,1-4H3/t6-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.23493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 196.139 g/mol  logS: -0.53186  SlogP: 0.3112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0793187  Sterimol/B1: 2.56921  Sterimol/B2: 2.78427  Sterimol/B3: 3.5834
  Sterimol/B4: 5.2912  Sterimol/L: 11.704 
 
 Surface and Volume Properties
  Accessible surface: 396.606  Positive charged surface: 267.095  Negative charged surface: 129.511  Volume: 174.75
  Hydrophobic surface: 281.151  Hydrophilic surface: 115.455
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.