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PUBCHEM-ZINC05575501

MMsINC code: MMs03311507

Type: Neutral
Formula: C16H25O6P
SMILES:   P(OCC)(OCC)(=O)C(Cc1ccc(OC)cc1)C(OCC)=O
InChI:   InChI=1/C16H25O6P/c1-5-20-16(17)15(23(18,21-6-2)22-7-3)12-13-8-10-14(19-4)11-9-13/h8-11,15H,5-7,12H2,1-4H3/t15-/m0/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=29.2781 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 344.344 g/mol  logS: -2.88093  SlogP: 2.36527  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108153  Sterimol/B1: 3.85806  Sterimol/B2: 4.00092  Sterimol/B3: 4.05337
  Sterimol/B4: 6.22689  Sterimol/L: 16.7146 
 
 Surface and Volume Properties
  Accessible surface: 574.461  Positive charged surface: 404.662  Negative charged surface: 169.799  Volume: 330.25
  Hydrophobic surface: 447.695  Hydrophilic surface: 126.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.