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PUBCHEM-ZINC03641700

 MMsINC code: MMs03031463
Type: Neutral
Formula: C8H19O4P
SMILES:   P(OCC)(OCC)(=O)CCOCC
InChI:   InChI=1/C8H19O4P/c1-4-10-7-8-13(9,11-5-2)12-6-3/h4-8H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.99705 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.21 g/mol  logS: -0.73565  SlogP: 1.2188  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.054397  Sterimol/B1: 2.61775  Sterimol/B2: 4.01728  Sterimol/B3: 4.30368
  Sterimol/B4: 5.80155  Sterimol/L: 14.6555 
 
 Surface and Volume Properties
  Accessible surface: 470.576  Positive charged surface: 356.065  Negative charged surface: 114.511  Volume: 208.375
  Hydrophobic surface: 360.595  Hydrophilic surface: 109.981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.