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BACHEM-ZINC04096279

 MMsINC code: MMs00484641
Type: Neutral
Formula: C6H13O9P
SMILES:   P(OC1C(O)C(O)C(O)C(O)C1O)(O)(O)=O
InChI:   InChI=1/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3+,4-,5-,6-/m0/s1

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Potential Energy
Epot(MMFF94)=-5.11747 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.135 g/mol  logS: 1.68828  SlogP: -4.7878  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.117731  Sterimol/B1: 3.05709  Sterimol/B2: 3.38726  Sterimol/B3: 4.18009
  Sterimol/B4: 4.698  Sterimol/L: 12.1536 
 
 Surface and Volume Properties
  Accessible surface: 407.86  Positive charged surface: 257.068  Negative charged surface: 150.793  Volume: 187.875
  Hydrophobic surface: 71.4618  Hydrophilic surface: 336.3982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  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


MMs00484642
BACHEM-ZINC04096279