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PUBCHEM-ZINC03591091

 MMsINC code: MMs03018050
Type: Neutral
Formula: C4H9O4P
SMILES:   P(OCC)(OC=C)(O)=O
InChI:   InChI=1/C4H9O4P/c1-3-7-9(5,6)8-4-2/h3H,1,4H2,2H3,(H,5,6)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-23.9856 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 152.086 g/mol  logS: 0.01083  SlogP: 0.2132  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0714113  Sterimol/B1: 2.52465  Sterimol/B2: 2.81636  Sterimol/B3: 3.59302
  Sterimol/B4: 4.24298  Sterimol/L: 12.2171 
 
 Surface and Volume Properties
  Accessible surface: 339.997  Positive charged surface: 193.185  Negative charged surface: 146.811  Volume: 129.875
  Hydrophobic surface: 174.783  Hydrophilic surface: 165.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.