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PUBCHEM-ZINC05760909

 MMsINC code: MMs03374132
Type: Neutral
Formula: C5H11O3P
SMILES:   P1(OCCO1)OC(C)C
InChI:   InChI=1/C5H11O3P/c1-5(2)8-9-6-3-4-7-9/h5H,3-4H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=13.6474 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 150.114 g/mol  logS: -0.81868  SlogP: 1.6851  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0813023  Sterimol/B1: 2.40426  Sterimol/B2: 2.83158  Sterimol/B3: 3.08426
  Sterimol/B4: 4.67619  Sterimol/L: 10.5726 
 
 Surface and Volume Properties
  Accessible surface: 338.012  Positive charged surface: 260.49  Negative charged surface: 77.5217  Volume: 135.75
  Hydrophobic surface: 236.702  Hydrophilic surface: 101.31
 
 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.