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PUBCHEM-ZINC01532835

 MMsINC code: MMs02813748
Type: Neutral
Formula: C5H13O8P
SMILES:   P(OCC(O)C(O)C(O)CO)(O)(O)=O
InChI:   InChI=1/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4+,5+/m1/s1

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Potential Energy
Epot(MMFF94)=-13.8347 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.125 g/mol  logS: 1.63458  SlogP: -3.8995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0740723  Sterimol/B1: 2.85868  Sterimol/B2: 3.09548  Sterimol/B3: 3.23861
  Sterimol/B4: 3.44628  Sterimol/L: 14.2483 
 
 Surface and Volume Properties
  Accessible surface: 406.959  Positive charged surface: 254.065  Negative charged surface: 152.894  Volume: 175.75
  Hydrophobic surface: 111.083  Hydrophilic surface: 295.876
 
 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


MMs02813749
PUBCHEM-ZINC01532835