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CHEMBRIDGE-ZINC03105913

 MMsINC code: MMs00752295
Type: Neutral
Formula: C9H21O5P
SMILES:   P(=O)(COCCOC)(COCCOC)C
InChI:   InChI=1/C9H21O5P/c1-11-4-6-13-8-15(3,10)9-14-7-5-12-2/h4-9H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.4015 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.236 g/mol  logS: 0.91618  SlogP: 0.1501  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.078399  Sterimol/B1: 2.61728  Sterimol/B2: 3.66668  Sterimol/B3: 4.32772
  Sterimol/B4: 6.16646  Sterimol/L: 14.4349 
 
 Surface and Volume Properties
  Accessible surface: 500.892  Positive charged surface: 445.298  Negative charged surface: 55.5946  Volume: 235.625
  Hydrophobic surface: 445.298  Hydrophilic surface: 55.594
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.