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PUBCHEM-ZINC03156874

 MMsINC code: MMs03002635
Type: Neutral
Formula: C15H21O4P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(=O)\C=C\c1ccccc1
InChI:   InChI=1/C15H21O4P/c1-12(2)18-20(17,19-13(3)4)15(16)11-10-14-8-6-5-7-9-14/h5-13H,1-4H3/b11-10+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.3083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.303 g/mol  logS: -3.58125  SlogP: 3.1993  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0665061  Sterimol/B1: 2.32926  Sterimol/B2: 3.73984  Sterimol/B3: 4.90657
  Sterimol/B4: 7.72879  Sterimol/L: 15.5162 
 
 Surface and Volume Properties
  Accessible surface: 576.332  Positive charged surface: 336.846  Negative charged surface: 239.486  Volume: 291.5
  Hydrophobic surface: 440.858  Hydrophilic surface: 135.474
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.