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PUBCHEM-ZINC05355682

 MMsINC code: MMs03246882
Type: Neutral
Formula: C6H13O4P
SMILES:   P12(OC(CO1)C)OC(CO2)C
InChI:   InChI=1/C6H13O4P/c1-5-3-7-11(9-5)8-4-6(2)10-11/h5-6,11H,3-4H2,1-2H3/t5-,6+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=192.696 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.14 g/mol  logS: -1.57265  SlogP: 1.2669  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0859132  Sterimol/B1: 2.56835  Sterimol/B2: 2.68508  Sterimol/B3: 3.32025
  Sterimol/B4: 4.52387  Sterimol/L: 11.9852 
 
 Surface and Volume Properties
  Accessible surface: 368.108  Positive charged surface: 254.731  Negative charged surface: 113.376  Volume: 158.75
  Hydrophobic surface: 266.675  Hydrophilic surface: 101.433
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.