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PUBCHEM-ZINC03869170

 MMsINC code: MMs03078298
Type: Ionized
Formula: C6H11O9P-2
SMILES:   P(OC1C(O)C(O)C(O)C(O)C1O)(=O)([O-])[O-]
InChI:   InChI=1/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2+,3-,4+,5-,6+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=28.1573 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.119 g/mol  logS: 1.54524  SlogP: -6.0518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.261879  Sterimol/B1: 2.98523  Sterimol/B2: 3.45112  Sterimol/B3: 4.18336
  Sterimol/B4: 4.19364  Sterimol/L: 10.8002 
 
 Surface and Volume Properties
  Accessible surface: 370.665  Positive charged surface: 176.934  Negative charged surface: 193.731  Volume: 179.625
  Hydrophobic surface: 89.1751  Hydrophilic surface: 281.4899
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 3  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Parent related molecule:


MMs03078297
PUBCHEM-ZINC03869170