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PUBCHEM-ZINC03165015

 MMsINC code: MMs03004033
Type: Neutral
Formula: C8H17O5P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(OC)=O
InChI:   InChI=1/C8H17O5P/c1-6(2)12-14(10,8(9)11-5)13-7(3)4/h6-7H,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=34.5554 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.193 g/mol  logS: -1.38435  SlogP: 1.7257  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132536  Sterimol/B1: 2.08378  Sterimol/B2: 2.99823  Sterimol/B3: 4.15684
  Sterimol/B4: 8.2172  Sterimol/L: 11.9588 
 
 Surface and Volume Properties
  Accessible surface: 457.684  Positive charged surface: 314.856  Negative charged surface: 142.828  Volume: 210.375
  Hydrophobic surface: 302.561  Hydrophilic surface: 155.123
 
 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.