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PUBCHEM-ZINC06753386

 MMsINC code: MMs03850447
Type: Neutral
Formula: C6H13O9P
SMILES:   P(OC(C(O)C(O)C(O)CO)C=O)(O)(O)=O
InChI:   InChI=1/C6H13O9P/c7-1-3(9)5(10)6(11)4(2-8)15-16(12,13)14/h2-7,9-11H,1H2,(H2,12,13,14)/t3-,4-,5-,6-/m1/s1

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Potential Energy
Epot(MMFF94)=-10.7248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.135 g/mol  logS: 1.60203  SlogP: -4.332  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.154179  Sterimol/B1: 3.20464  Sterimol/B2: 3.6516  Sterimol/B3: 3.94855
  Sterimol/B4: 5.3638  Sterimol/L: 11.8245 
 
 Surface and Volume Properties
  Accessible surface: 413.791  Positive charged surface: 245.066  Negative charged surface: 168.724  Volume: 193.75
  Hydrophobic surface: 85.3929  Hydrophilic surface: 328.3981
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03850448
PUBCHEM-ZINC06753386