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NCID-ZINC05500750

 MMsINC code: MMs02468634
Type: Neutral
Formula: C4H11O8P
SMILES:   P(OCC(O)O)(OCC(O)O)(O)=O
InChI:   InChI=1/C4H11O8P/c5-3(6)1-11-13(9,10)12-2-4(7)8/h3-8H,1-2H2,(H,9,10)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-41.1915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.098 g/mol  logS: 1.52794  SlogP: -3.3288  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102279  Sterimol/B1: 3.18482  Sterimol/B2: 3.3467  Sterimol/B3: 3.39175
  Sterimol/B4: 4.24827  Sterimol/L: 12.2842 
 
 Surface and Volume Properties
  Accessible surface: 406.434  Positive charged surface: 271.254  Negative charged surface: 135.181  Volume: 161
  Hydrophobic surface: 118.477  Hydrophilic surface: 287.957
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02468635
NCID-ZINC05500750