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PUBCHEM-ZINC01532567

 MMsINC code: MMs02813641
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)=-27.8891 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: 0.0654231  Sterimol/B1: 2.81369  Sterimol/B2: 3.1976  Sterimol/B3: 3.32775
  Sterimol/B4: 3.77197  Sterimol/L: 13.3119 
 
 Surface and Volume Properties
  Accessible surface: 402.844  Positive charged surface: 236.082  Negative charged surface: 166.762  Volume: 170.375
  Hydrophobic surface: 87.6797  Hydrophilic surface: 315.1643
 
 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


MMs02813642
PUBCHEM-ZINC01532567