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PUBCHEM-ZINC02032243

 MMsINC code: MMs02859245
Type: Neutral
Formula: C11H21O6P
SMILES:   P(OCC)(OCC)(=O)C(C(=O)C)CC(OCC)=O
InChI:   InChI=1/C11H21O6P/c1-5-15-11(13)8-10(9(4)12)18(14,16-6-2)17-7-3/h10H,5-8H2,1-4H3/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=7.62762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.257 g/mol  logS: -1.22181  SlogP: 1.0931  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0637243  Sterimol/B1: 3.32248  Sterimol/B2: 3.54494  Sterimol/B3: 5.07596
  Sterimol/B4: 5.87374  Sterimol/L: 15.9169 
 
 Surface and Volume Properties
  Accessible surface: 538.405  Positive charged surface: 374.649  Negative charged surface: 163.756  Volume: 261.625
  Hydrophobic surface: 382.269  Hydrophilic surface: 156.136
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.