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PUBCHEM-ZINC03096039

 MMsINC code: MMs02992948
Type: Neutral
Formula: C7H14NO7P
SMILES:   P(O)(O)(=O)CN(CC(OC)=O)C(OCC)=O
InChI:   InChI=1/C7H14NO7P/c1-3-15-7(10)8(4-6(9)14-2)5-16(11,12)13/h3-5H2,1-2H3,(H2,11,12,13)

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Potential Energy
Epot(MMFF94)=-14.3576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.163 g/mol  logS: 0.4947  SlogP: -1.3171  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.096829  Sterimol/B1: 2.54996  Sterimol/B2: 2.5554  Sterimol/B3: 3.77227
  Sterimol/B4: 7.55719  Sterimol/L: 13.3849 
 
 Surface and Volume Properties
  Accessible surface: 459.084  Positive charged surface: 318.693  Negative charged surface: 140.391  Volume: 208.125
  Hydrophobic surface: 244.01  Hydrophilic surface: 215.074
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.