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PUBCHEM-ZINC06439125

 MMsINC code: MMs03729664
Type: Neutral
Formula: C11H22NO6P
SMILES:   P(OCC)(OCC)(=O)C(NC(=O)C)CC(OCC)=O
InChI:   InChI=1/C11H22NO6P/c1-5-16-11(14)8-10(12-9(4)13)19(15,17-6-2)18-7-3/h10H,5-8H2,1-4H3,(H,12,13)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=24.9264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 295.272 g/mol  logS: -0.94376  SlogP: 0.5977  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0556997  Sterimol/B1: 3.54998  Sterimol/B2: 3.63001  Sterimol/B3: 4.70951
  Sterimol/B4: 7.56003  Sterimol/L: 15.8689 
 
 Surface and Volume Properties
  Accessible surface: 567.197  Positive charged surface: 400.535  Negative charged surface: 166.663  Volume: 275.875
  Hydrophobic surface: 405.993  Hydrophilic surface: 161.204
 
 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.