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PUBCHEM-ZINC05862963

 MMsINC code: MMs03422653
Type: Neutral
Formula: C6H15O3P
SMILES:   P(OCC)(OCC)OCC
InChI:   InChI=1/C6H17O3P/c1-4-7-10(8-5-2)9-6-3/h4-6,10H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=159.148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.173 g/mol  logS: -1.95895  SlogP: 1.7874  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.125143  Sterimol/B1: 2.47355  Sterimol/B2: 2.51685  Sterimol/B3: 3.94335
  Sterimol/B4: 6.3511  Sterimol/L: 11.5911 
 
 Surface and Volume Properties
  Accessible surface: 397.665  Positive charged surface: 272.68  Negative charged surface: 124.986  Volume: 174.625
  Hydrophobic surface: 304.938  Hydrophilic surface: 92.727
 
 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.