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PUBCHEM-ZINC05650770

 MMsINC code: MMs03337085
Type: Neutral
Formula: C7H15O3P
SMILES:   P(OCC)(OCC)(=O)C(C)=C
InChI:   InChI=1/C7H15O3P/c1-5-9-11(8,7(3)4)10-6-2/h3,5-6H2,1-2,4H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.35055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 178.168 g/mol  logS: -0.83494  SlogP: 1.7159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.23433  Sterimol/B1: 2.2835  Sterimol/B2: 2.88483  Sterimol/B3: 4.30516
  Sterimol/B4: 8.20312  Sterimol/L: 10.1636 
 
 Surface and Volume Properties
  Accessible surface: 403.721  Positive charged surface: 264.833  Negative charged surface: 138.889  Volume: 178.25
  Hydrophobic surface: 286.716  Hydrophilic surface: 117.005
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.