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PUBCHEM-ZINC01532576

 MMsINC code: MMs02813651
Type: Neutral
Formula: C5H11O8P
SMILES:   P(OCC(O)C(O)C(=O)CO)(O)(O)=O
InChI:   InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5-/m1/s1

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Potential Energy
Epot(MMFF94)=-27.6046 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.109 g/mol  logS: 1.10069  SlogP: -3.6913  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0895046  Sterimol/B1: 2.77481  Sterimol/B2: 3.49545  Sterimol/B3: 3.52599
  Sterimol/B4: 3.63647  Sterimol/L: 13.1819 
 
 Surface and Volume Properties
  Accessible surface: 405.337  Positive charged surface: 235.702  Negative charged surface: 169.636  Volume: 170.125
  Hydrophobic surface: 92.4557  Hydrophilic surface: 312.8813
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02813652
PUBCHEM-ZINC01532576