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PUBCHEM-ZINC03606137

 MMsINC code: MMs03020281
Type: Neutral
Formula: C5H11O8P
SMILES:   P(OCC(O)C(O)C(O)C=O)(O)(O)=O
InChI:   InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)/t3-,4-,5+/m1/s1

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Potential Energy
Epot(MMFF94)=-26.8334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.109 g/mol  logS: 1.39949  SlogP: -3.6929  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0879298  Sterimol/B1: 2.57218  Sterimol/B2: 3.2859  Sterimol/B3: 3.45175
  Sterimol/B4: 3.58142  Sterimol/L: 13.4156 
 
 Surface and Volume Properties
  Accessible surface: 400.054  Positive charged surface: 228.77  Negative charged surface: 171.284  Volume: 171.25
  Hydrophobic surface: 81.4671  Hydrophilic surface: 318.5869
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03020282
PUBCHEM-ZINC03606137