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PUBCHEM-ZINC04975808

 MMsINC code: MMs03186940
Type: Neutral
Formula: C6H15O4P
SMILES:   P(OCC)(OCC)(=O)C(O)C
InChI:   InChI=1/C6H15O4P/c1-4-9-11(8,6(3)7)10-5-2/h6-7H,4-5H2,1-3H3/t6-/m1/s1

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Potential Energy
Epot(MMFF94)=27.6778 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.156 g/mol  logS: -0.2712  SlogP: 0.5206  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158744  Sterimol/B1: 2.51556  Sterimol/B2: 3.01782  Sterimol/B3: 4.07297
  Sterimol/B4: 7.26588  Sterimol/L: 11.2644 
 
 Surface and Volume Properties
  Accessible surface: 399.822  Positive charged surface: 281.08  Negative charged surface: 118.742  Volume: 171.375
  Hydrophobic surface: 250.217  Hydrophilic surface: 149.605
 
 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.