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ALFAAESAR-ZINC01693569

 MMsINC code: MMs00021921
Type: Neutral
Formula: C3H9O3P
SMILES:   P(OC)(OC)OC
InChI:   InChI=1/C3H9O3P/c1-4-7(5-2)6-3/h1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.32541 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.076 g/mol  logS: -0.01542  SlogP: 1.1525  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0697082  Sterimol/B1: 2.2815  Sterimol/B2: 2.35674  Sterimol/B3: 2.51156
  Sterimol/B4: 5.72348  Sterimol/L: 9.33092 
 
 Surface and Volume Properties
  Accessible surface: 307.59  Positive charged surface: 277.165  Negative charged surface: 30.425  Volume: 112.25
  Hydrophobic surface: 260.865  Hydrophilic surface: 46.725
 
 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.