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ALFAAESAR-ZINC05020018

 MMsINC code: MMs00025202
Type: Neutral
Formula: C2H7O3P
SMILES:   [PH](OC)(OC)=O
InChI:   InChI=1/C2H7O3P/c1-4-6(3)5-2/h6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=1.09383 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 110.049 g/mol  logS: -0.22271  SlogP: -0.4013  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0835654  Sterimol/B1: 2.30674  Sterimol/B2: 2.58574  Sterimol/B3: 2.76539
  Sterimol/B4: 3.39973  Sterimol/L: 9.66259 
 
 Surface and Volume Properties
  Accessible surface: 270.944  Positive charged surface: 193.567  Negative charged surface: 77.3768  Volume: 93.375
  Hydrophobic surface: 206.97  Hydrophilic surface: 63.974
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.