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PUBCHEM-ZINC05859627

 MMsINC code: MMs03421512
Type: Neutral
Formula: C15H19O4P
SMILES:   P(OCc1c2c(ccc1)cccc2)(OCC)(OCC)=O
InChI:   InChI=1/C15H19O4P/c1-3-17-20(16,18-4-2)19-12-14-10-7-9-13-8-5-6-11-15(13)14/h5-11H,3-4,12H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=24.0556 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.287 g/mol  logS: -4.16614  SlogP: 3.7337  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0946035  Sterimol/B1: 2.65137  Sterimol/B2: 3.89915  Sterimol/B3: 4.2686
  Sterimol/B4: 7.33669  Sterimol/L: 16.073 
 
 Surface and Volume Properties
  Accessible surface: 560.266  Positive charged surface: 335.78  Negative charged surface: 213.96  Volume: 280.875
  Hydrophobic surface: 462.137  Hydrophilic surface: 98.129
 
 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.