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PUBCHEM-ZINC03580967

 MMsINC code: MMs03016923
Type: Neutral
Formula: C6H15O8P
SMILES:   P(OCC(O)C(O)C(O)CCO)(O)(O)=O
InChI:   InChI=1/C6H15O8P/c7-2-1-4(8)6(10)5(9)3-14-15(11,12)13/h4-10H,1-3H2,(H2,11,12,13)/t4-,5+,6+/m1/s1

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Potential Energy
Epot(MMFF94)=-19.2564 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.152 g/mol  logS: 1.43281  SlogP: -3.5094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.060105  Sterimol/B1: 2.92365  Sterimol/B2: 3.00432  Sterimol/B3: 3.31364
  Sterimol/B4: 3.72324  Sterimol/L: 15.4599 
 
 Surface and Volume Properties
  Accessible surface: 438.561  Positive charged surface: 283.817  Negative charged surface: 154.745  Volume: 192.875
  Hydrophobic surface: 143.082  Hydrophilic surface: 295.479
 
 Pharmacophoric Properties
  Hydrogen bond donors: 7  Hydrogen bond acceptors: 8  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


MMs03016924
PUBCHEM-ZINC03580967