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PUBCHEM-ZINC05836249

 MMsINC code: MMs03408154
Type: Neutral
Formula: C7H15O2P
SMILES:   P(OCCC)(=O)(CC)C=C
InChI:   InChI=1/C7H15O2P/c1-4-7-9-10(8,5-2)6-3/h5H,2,4,6-7H2,1,3H3/t10-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.6125 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 162.169 g/mol  logS: -0.47599  SlogP: 1.7843  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0958862  Sterimol/B1: 3.07652  Sterimol/B2: 3.19711  Sterimol/B3: 3.63863
  Sterimol/B4: 5.86559  Sterimol/L: 11.2397 
 
 Surface and Volume Properties
  Accessible surface: 383.742  Positive charged surface: 248.478  Negative charged surface: 135.264  Volume: 171.25
  Hydrophobic surface: 261.651  Hydrophilic surface: 122.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.