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AURORAFEINCHEMIE-ZINC01590430

 MMsINC code: MMs00448609
Type: Neutral
Formula: C6H13O4P
SMILES:   P(OCC)(OCC)(=O)CC=O
InChI:   InChI=1/C6H13O4P/c1-3-9-11(8,6-5-7)10-4-2/h5H,3-4,6H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.98921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.14 g/mol  logS: -0.29835  SlogP: 0.3812  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.221332  Sterimol/B1: 2.75636  Sterimol/B2: 3.11301  Sterimol/B3: 4.52969
  Sterimol/B4: 6.44121  Sterimol/L: 10.4528 
 
 Surface and Volume Properties
  Accessible surface: 391.647  Positive charged surface: 263.866  Negative charged surface: 127.781  Volume: 164.875
  Hydrophobic surface: 247.037  Hydrophilic surface: 144.61
 
 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.