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PUBCHEM-ZINC02585404

 MMsINC code: MMs02904995
Type: Neutral
Formula: C8H17O4P
SMILES:   P(OCC)(OCC)(=O)CC(=O)CC
InChI:   InChI=1/C8H17O4P/c1-4-8(9)7-13(10,11-5-2)12-6-3/h4-7H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.545031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.194 g/mol  logS: -0.80628  SlogP: 1.1614  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0693349  Sterimol/B1: 3.27821  Sterimol/B2: 3.31652  Sterimol/B3: 4.61603
  Sterimol/B4: 5.39399  Sterimol/L: 13.6847 
 
 Surface and Volume Properties
  Accessible surface: 448.169  Positive charged surface: 319.625  Negative charged surface: 128.544  Volume: 200.5
  Hydrophobic surface: 324.137  Hydrophilic surface: 124.032
 
 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.