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PUBCHEM-ZINC02559336

 MMsINC code: MMs02900954
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-/m0/s1

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Potential Energy
Epot(MMFF94)=27.6756 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: 0.158759  Sterimol/B1: 2.25353  Sterimol/B2: 2.86875  Sterimol/B3: 4.22211
  Sterimol/B4: 7.52701  Sterimol/L: 11.2647 
 
 Surface and Volume Properties
  Accessible surface: 397.241  Positive charged surface: 280.918  Negative charged surface: 116.323  Volume: 171.375
  Hydrophobic surface: 250.198  Hydrophilic surface: 147.043
 
 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.