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PUBCHEM-ZINC05859927

 MMsINC code: MMs03421597
Type: Neutral
Formula: C8H19O4P
SMILES:   P(OCC)(OCC)(=O)C(O)C(C)C
InChI:   InChI=1/C8H19O4P/c1-5-11-13(10,12-6-2)8(9)7(3)4/h7-9H,5-6H2,1-4H3/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=35.2377 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 210.21 g/mol  logS: -0.67474  SlogP: 1.1567  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158289  Sterimol/B1: 2.1623  Sterimol/B2: 2.89106  Sterimol/B3: 4.28823
  Sterimol/B4: 7.84869  Sterimol/L: 12.3027 
 
 Surface and Volume Properties
  Accessible surface: 436.531  Positive charged surface: 312.806  Negative charged surface: 123.725  Volume: 207.25
  Hydrophobic surface: 289.445  Hydrophilic surface: 147.086
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.