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PUBCHEM-ZINC03869806

 MMsINC code: MMs03078932
Type: Neutral
Formula: C7H15O10P
SMILES:   P(OCC(O)C(O)C(O)C(O)C(=O)CO)(O)(O)=O
InChI:   InChI=1/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16)/t4-,5+,6-,7+/m0/s1

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Potential Energy
Epot(MMFF94)=12.6948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.161 g/mol  logS: 1.50577  SlogP: -4.9695  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0502199  Sterimol/B1: 2.78262  Sterimol/B2: 3.41817  Sterimol/B3: 3.52154
  Sterimol/B4: 3.7395  Sterimol/L: 15.6726 
 
 Surface and Volume Properties
  Accessible surface: 468.814  Positive charged surface: 284.245  Negative charged surface: 184.569  Volume: 217.75
  Hydrophobic surface: 109.261  Hydrophilic surface: 359.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 10  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


MMs03078933
PUBCHEM-ZINC03869806