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PUBCHEM-ZINC04097058

 MMsINC code: MMs03090238
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/h3,5-9,11-13H,1-2H2,(H2,14,15,16)/t3-,5-,6-,7+/m1/s1

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Potential Energy
Epot(MMFF94)=-0.795415 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: 0.076752  Sterimol/B1: 3.3168  Sterimol/B2: 3.37434  Sterimol/B3: 3.75035
  Sterimol/B4: 4.99243  Sterimol/L: 15.6398 
 
 Surface and Volume Properties
  Accessible surface: 475.91  Positive charged surface: 281.713  Negative charged surface: 194.197  Volume: 220.25
  Hydrophobic surface: 99.9556  Hydrophilic surface: 375.9544
 
 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


MMs03090239
PUBCHEM-ZINC04097058