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PUBCHEM-ZINC04097146

 MMsINC code: MMs03090306
Type: Neutral
Formula: C2H7O4P
SMILES:   P(O)(O)(=O)CCO
InChI:   InChI=1/C2H7O4P/c3-1-2-7(4,5)6/h3H,1-2H2,(H2,4,5,6)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-47.3662 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 126.048 g/mol  logS: 1.28152  SlogP: -1.9138  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.168516  Sterimol/B1: 3.18065  Sterimol/B2: 3.19715  Sterimol/B3: 3.26726
  Sterimol/B4: 3.30018  Sterimol/L: 9.45244 
 
 Surface and Volume Properties
  Accessible surface: 274.608  Positive charged surface: 169.828  Negative charged surface: 104.78  Volume: 96.375
  Hydrophobic surface: 82.9499  Hydrophilic surface: 191.6581
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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: no related molecules available.