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PUBCHEM-ZINC05355685

 MMsINC code: MMs03246884
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-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=182.312 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: 0.125679  Sterimol/B1: 2.90635  Sterimol/B2: 3.11417  Sterimol/B3: 3.6727
  Sterimol/B4: 4.5825  Sterimol/L: 11.0488 
 
 Surface and Volume Properties
  Accessible surface: 364.862  Positive charged surface: 254.454  Negative charged surface: 110.408  Volume: 159.25
  Hydrophobic surface: 271.513  Hydrophilic surface: 93.349
 
 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.