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PUBCHEM-ZINC02036079

 MMsINC code: MMs02861215
Type: Neutral
Formula: C14H23O4P
SMILES:   P(Oc1ccccc1)(OCCCC)(OCCCC)=O
InChI:   InChI=1/C14H23O4P/c1-3-5-12-16-19(15,17-13-6-4-2)18-14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.4686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.308 g/mol  logS: -3.65642  SlogP: 3.7367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0483683  Sterimol/B1: 2.33842  Sterimol/B2: 2.80335  Sterimol/B3: 3.1256
  Sterimol/B4: 10.8996  Sterimol/L: 16.0606 
 
 Surface and Volume Properties
  Accessible surface: 568.13  Positive charged surface: 375.529  Negative charged surface: 192.601  Volume: 284.625
  Hydrophobic surface: 469.514  Hydrophilic surface: 98.616
 
 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.