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PUBCHEM-ZINC05819483

 MMsINC code: MMs03398581
Type: Neutral
Formula: C12H24O7P2
SMILES:   P1(OCC(CO1)(CC)C)(OP1(OCC(CO1)(CC)C)=O)=O
InChI:   InChI=1/C12H24O7P2/c1-5-11(3)7-15-20(13,16-8-11)19-21(14)17-9-12(4,6-2)10-18-21/h5-10H2,1-4H3/t11-,12-,20+,21+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.11963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.265 g/mol  logS: -2.53744  SlogP: 2.005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0780002  Sterimol/B1: 2.62502  Sterimol/B2: 2.89572  Sterimol/B3: 4.09191
  Sterimol/B4: 7.18229  Sterimol/L: 14.447 
 
 Surface and Volume Properties
  Accessible surface: 537.637  Positive charged surface: 348.963  Negative charged surface: 188.673  Volume: 293
  Hydrophobic surface: 353.143  Hydrophilic surface: 184.494
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.