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PUBCHEM-ZINC06036892

 MMsINC code: MMs03506848
Type: Neutral
Formula: C2H7O3P
SMILES:   [PH](O)(=O)C(O)C
InChI:   InChI=1/C2H7O3P/c1-2(3)6(4)5/h2-3,6H,1H3,(H,4,5)/t2-/m1/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.77566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 110.049 g/mol  logS: 0.37163  SlogP: -1.2785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.204051  Sterimol/B1: 2.34019  Sterimol/B2: 2.81052  Sterimol/B3: 3.00718
  Sterimol/B4: 4.45849  Sterimol/L: 8.04646 
 
 Surface and Volume Properties
  Accessible surface: 260.812  Positive charged surface: 139.552  Negative charged surface: 121.26  Volume: 90.375
  Hydrophobic surface: 95.1276  Hydrophilic surface: 165.6844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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: no related molecules available.