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PUBCHEM-ZINC05476099

 MMsINC code: MMs03280062
Type: Neutral
Formula: C8H19O3P
SMILES:   P(OC(C)C)(OC(C)C)(=O)CC
InChI:   InChI=1/C8H19O3P/c1-6-12(9,10-7(2)3)11-8(4)5/h7-8H,6H2,1-5H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=0.127417 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.211 g/mol  logS: -1.24743  SlogP: 1.9792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.201171  Sterimol/B1: 2.49657  Sterimol/B2: 3.0454  Sterimol/B3: 4.48932
  Sterimol/B4: 7.1571  Sterimol/L: 11.4369 
 
 Surface and Volume Properties
  Accessible surface: 423.708  Positive charged surface: 291.067  Negative charged surface: 132.641  Volume: 200.125
  Hydrophobic surface: 298.599  Hydrophilic surface: 125.109
 
 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.