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PUBCHEM-ZINC03086399

 MMsINC code: MMs02991844
Type: Neutral
Formula: C16H27O3P
SMILES:   P(OC(CCC)C)(OC(CCC)C)(=O)c1ccccc1
InChI:   InChI=1/C16H27O3P/c1-5-10-14(3)18-20(17,19-15(4)11-6-2)16-12-8-7-9-13-16/h7-9,12-15H,5-6,10-11H2,1-4H3/t14-,15-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.2535 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.363 g/mol  logS: -4.17806  SlogP: 3.8452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.202474  Sterimol/B1: 2.32215  Sterimol/B2: 2.60849  Sterimol/B3: 5.7167
  Sterimol/B4: 10.4738  Sterimol/L: 13.271 
 
 Surface and Volume Properties
  Accessible surface: 572.233  Positive charged surface: 372.679  Negative charged surface: 199.554  Volume: 314
  Hydrophobic surface: 471.099  Hydrophilic surface: 101.134
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.