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NCID-ZINC01765357

 MMsINC code: MMs02369460
Type: Neutral
Formula: C3H7O4P
SMILES:   P(OC)(O)(=O)C(=O)C
InChI:   InChI=1/C3H7O4P/c1-3(4)8(5,6)7-2/h1-2H3,(H,5,6)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.60354 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 138.059 g/mol  logS: 0.33913  SlogP: -0.7055  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.114237  Sterimol/B1: 3.07434  Sterimol/B2: 3.09995  Sterimol/B3: 3.44226
  Sterimol/B4: 3.60009  Sterimol/L: 9.87417 
 
 Surface and Volume Properties
  Accessible surface: 303.278  Positive charged surface: 186.785  Negative charged surface: 116.493  Volume: 112.375
  Hydrophobic surface: 171.71  Hydrophilic surface: 131.568
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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: no related molecules available.