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PUBCHEM-ZINC03096031

 MMsINC code: MMs02992944
Type: Neutral
Formula: C9H19O5P
SMILES:   P(OC(C)C)(OC(C)C)(=O)C(OCC)=O
InChI:   InChI=1/C9H19O5P/c1-6-12-9(10)15(11,13-7(2)3)14-8(4)5/h7-8H,6H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.2102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.22 g/mol  logS: -1.71156  SlogP: 2.1158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114426  Sterimol/B1: 3.05954  Sterimol/B2: 3.33775  Sterimol/B3: 3.63832
  Sterimol/B4: 6.72678  Sterimol/L: 13.2974 
 
 Surface and Volume Properties
  Accessible surface: 481.356  Positive charged surface: 322.663  Negative charged surface: 158.693  Volume: 228.75
  Hydrophobic surface: 311.976  Hydrophilic surface: 169.38
 
 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.