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PUBCHEM-ZINC05431467

 MMsINC code: MMs03268042
Type: Neutral
Formula: C6H11O2P
SMILES:   [PH](OCCC)(=O)C=C=C
InChI:   InChI=1/C6H11O2P/c1-3-5-8-9(7)6-4-2/h6,9H,2-3,5H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.96295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.126 g/mol  logS: -0.64706  SlogP: 1.1161  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0432412  Sterimol/B1: 2.48903  Sterimol/B2: 2.9957  Sterimol/B3: 3.03817
  Sterimol/B4: 3.40167  Sterimol/L: 13.3799 
 
 Surface and Volume Properties
  Accessible surface: 372.047  Positive charged surface: 202.732  Negative charged surface: 169.314  Volume: 147
  Hydrophobic surface: 245.925  Hydrophilic surface: 126.122
 
 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.