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CHEMBRIDGE-ZINC02831387

 MMsINC code: MMs00722034
Type: Neutral
Formula: C16H27O4P
SMILES:   P(OCCC)(=O)(C(OCCC)OCCC)c1ccccc1
InChI:   InChI=1/C16H27O4P/c1-4-12-18-16(19-13-5-2)21(17,20-14-6-3)15-10-8-7-9-11-15/h7-11,16H,4-6,12-14H2,1-3H3/t21-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=61.125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.362 g/mol  logS: -2.48939  SlogP: 3.0832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119266  Sterimol/B1: 2.49944  Sterimol/B2: 2.77445  Sterimol/B3: 4.64431
  Sterimol/B4: 11.2955  Sterimol/L: 15.3148 
 
 Surface and Volume Properties
  Accessible surface: 626.722  Positive charged surface: 438.879  Negative charged surface: 187.843  Volume: 324.25
  Hydrophobic surface: 529.423  Hydrophilic surface: 97.299
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.