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PUBCHEM-ZINC05975508

 MMsINC code: MMs03471006
Type: Neutral
Formula: C5H11O9P
SMILES:   P(OCC(O)C(O)C(O)C(O)=O)(O)(O)=O
InChI:   InChI=1/C5H11O9P/c6-2(1-14-15(11,12)13)3(7)4(8)5(9)10/h2-4,6-8H,1H2,(H,9,10)(H2,11,12,13)/t2-,3+,4+/m1/s1

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Potential Energy
Epot(MMFF94)=-27.7243 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.108 g/mol  logS: 1.4362  SlogP: -3.8072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0896623  Sterimol/B1: 2.92781  Sterimol/B2: 3.26848  Sterimol/B3: 3.79153
  Sterimol/B4: 3.85221  Sterimol/L: 13.4056 
 
 Surface and Volume Properties
  Accessible surface: 413.022  Positive charged surface: 232.271  Negative charged surface: 180.752  Volume: 177.25
  Hydrophobic surface: 62.0228  Hydrophilic surface: 350.9992
 
 Pharmacophoric Properties
  Hydrogen bond donors: 8  Hydrogen bond acceptors: 9  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


MMs03471007
PUBCHEM-ZINC05975508