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ASINEX-ZINC02473098

 MMsINC code: MMs00272181
Type: Neutral
Formula: C8H17O6P
SMILES:   P(OC)(OC)(=O)C(O)(CC(OCC)=O)C
InChI:   InChI=1/C8H17O6P/c1-5-14-7(9)6-8(2,10)15(11,12-3)13-4/h10H,5-6H2,1-4H3/t8-/m1/s1

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Potential Energy
Epot(MMFF94)=44.2054 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.192 g/mol  logS: -0.40931  SlogP: 0.0638  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0605068  Sterimol/B1: 3.33221  Sterimol/B2: 3.65811  Sterimol/B3: 3.8827
  Sterimol/B4: 5.04672  Sterimol/L: 14.606 
 
 Surface and Volume Properties
  Accessible surface: 460.139  Positive charged surface: 353.519  Negative charged surface: 106.62  Volume: 213.75
  Hydrophobic surface: 329.084  Hydrophilic surface: 131.055
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.