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PUBCHEM-ZINC02015516

 MMsINC code: MMs02851826
Type: Ionized
Formula: C5H11O6P-2
SMILES:   P(OC(CCO)CCO)(=O)([O-])[O-]
InChI:   InChI=1/C5H13O6P/c6-3-1-5(2-4-7)11-12(8,9)10/h5-7H,1-4H2,(H2,8,9,10)/p-2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-9.00572 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 198.111 g/mol  logS: 0.68292  SlogP: -3.1051  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.125584  Sterimol/B1: 2.36356  Sterimol/B2: 2.75167  Sterimol/B3: 3.26406
  Sterimol/B4: 6.09857  Sterimol/L: 10.8592 
 
 Surface and Volume Properties
  Accessible surface: 356.839  Positive charged surface: 198.528  Negative charged surface: 158.31  Volume: 155
  Hydrophobic surface: 144.145  Hydrophilic surface: 212.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 3  Basic groups: 0
  Chiral centers: 0
 
 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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Parent related molecule:


MMs02851825
PUBCHEM-ZINC02015516