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PUBCHEM-ZINC01529964

 MMsINC code: MMs02813177
Type: Ionized
Formula: C6H8O9P-3
SMILES:   P(OCC(=O)C(O)C(O)CC(=O)[O-])(=O)([O-])[O-]
InChI:   InChI=1/C6H11O9P/c7-3(1-5(9)10)6(11)4(8)2-15-16(12,13)14/h3,6-7,11H,1-2H2,(H,9,10)(H2,12,13,14)/p-3/t3-,6+/m0/s1

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Potential Energy
Epot(MMFF94)=-0.141676 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 255.095 g/mol  logS: 0.6169  SlogP: -5.8076  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.102198  Sterimol/B1: 2.42409  Sterimol/B2: 3.66575  Sterimol/B3: 3.82703
  Sterimol/B4: 4.54391  Sterimol/L: 12.8236 
 
 Surface and Volume Properties
  Accessible surface: 406.988  Positive charged surface: 146.043  Negative charged surface: 260.945  Volume: 176.25
  Hydrophobic surface: 76.6569  Hydrophilic surface: 330.3311
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 5  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
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Parent related molecule:


MMs02813176
PUBCHEM-ZINC01529964