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PUBCHEM-ZINC04521532

 MMsINC code: MMs03127828
Type: Neutral
Formula: C7H17O7P
SMILES:   P(OCC(O)C(OCC)OCC)(O)(O)=O
InChI:   InChI=1/C7H17O7P/c1-3-12-7(13-4-2)6(8)5-14-15(9,10)11/h6-8H,3-5H2,1-2H3,(H2,9,10,11)/t6-/m0/s1

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Potential Energy
Epot(MMFF94)=-26.9586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.18 g/mol  logS: 0.20653  SlogP: -1.2145  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0691172  Sterimol/B1: 2.09763  Sterimol/B2: 2.88953  Sterimol/B3: 3.32579
  Sterimol/B4: 7.59606  Sterimol/L: 14.2705 
 
 Surface and Volume Properties
  Accessible surface: 475.107  Positive charged surface: 309.081  Negative charged surface: 166.026  Volume: 207.875
  Hydrophobic surface: 219.679  Hydrophilic surface: 255.428
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03127829
PUBCHEM-ZINC04521532