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PUBCHEM-ZINC05828787

 MMsINC code: MMs03404195
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)=-26.4487 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: 0.0614533  Sterimol/B1: 2.36257  Sterimol/B2: 3.2863  Sterimol/B3: 3.49425
  Sterimol/B4: 3.75714  Sterimol/L: 15.4377 
 
 Surface and Volume Properties
  Accessible surface: 440.88  Positive charged surface: 282.653  Negative charged surface: 158.227  Volume: 194.25
  Hydrophobic surface: 131.177  Hydrophilic surface: 309.703
 
 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


MMs03404196
PUBCHEM-ZINC05828787