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PUBCHEM-ZINC05785583

 MMsINC code: MMs03385350
Type: Neutral
Formula: C9H21O4P
SMILES:   P(OC(CCC)C)(OCC)(OCC)=O
InChI:   InChI=1/C9H21O4P/c1-5-8-9(4)13-14(10,11-6-2)12-7-3/h9H,5-8H2,1-4H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-11.8254 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.237 g/mol  logS: -1.89177  SlogP: 2.3025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101341  Sterimol/B1: 3.04276  Sterimol/B2: 3.72257  Sterimol/B3: 3.87171
  Sterimol/B4: 6.45403  Sterimol/L: 12.234 
 
 Surface and Volume Properties
  Accessible surface: 477.135  Positive charged surface: 339.888  Negative charged surface: 137.247  Volume: 225.375
  Hydrophobic surface: 345.247  Hydrophilic surface: 131.888
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.