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PUBCHEM-ZINC03869805

 MMsINC code: MMs03078930
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/h3,5-7,9H,1-2H2,(H2,10,11,12)/t3-,5-/m1/s1

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Potential Energy
Epot(MMFF94)=-32.6068 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: 0.0698135  Sterimol/B1: 3.03941  Sterimol/B2: 3.07128  Sterimol/B3: 3.32686
  Sterimol/B4: 4.32069  Sterimol/L: 13.4809 
 
 Surface and Volume Properties
  Accessible surface: 404.691  Positive charged surface: 236.039  Negative charged surface: 168.652  Volume: 172.5
  Hydrophobic surface: 87.0651  Hydrophilic surface: 317.6259
 
 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


MMs03078931
PUBCHEM-ZINC03869805