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PUBCHEM-ZINC03869686

 MMsINC code: MMs03078797
Type: Neutral
Formula: C6H13O9P
SMILES:   P(OCC(=O)C(O)C(O)C(O)CO)(O)(O)=O
InChI:   InChI=1/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5-,6+/m0/s1

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Potential Energy
Epot(MMFF94)=-10.9494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.135 g/mol  logS: 1.30323  SlogP: -4.3304  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0663304  Sterimol/B1: 2.73851  Sterimol/B2: 2.7738  Sterimol/B3: 3.33976
  Sterimol/B4: 5.24692  Sterimol/L: 14.3972 
 
 Surface and Volume Properties
  Accessible surface: 439.175  Positive charged surface: 262.788  Negative charged surface: 176.387  Volume: 194.125
  Hydrophobic surface: 98.7457  Hydrophilic surface: 340.4293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 9  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs03078798
PUBCHEM-ZINC03869686