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PUBCHEM-ZINC06656294

 MMsINC code: MMs03836016
Type: Neutral
Formula: C4H11O3P
SMILES:   P(OCC)(OCC)O
InChI:   InChI=1/C4H13O3P/c1-3-6-8(5)7-4-2/h5H,3-4,8H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=156.315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.119 g/mol  logS: -1.28656  SlogP: 0.7432  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0698162  Sterimol/B1: 2.4464  Sterimol/B2: 2.51697  Sterimol/B3: 3.30168
  Sterimol/B4: 3.87012  Sterimol/L: 11.5916 
 
 Surface and Volume Properties
  Accessible surface: 340.884  Positive charged surface: 212.427  Negative charged surface: 128.457  Volume: 135.625
  Hydrophobic surface: 232.475  Hydrophilic surface: 108.409
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.