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ALFAAESAR-ZINC01691062

 MMsINC code: MMs00021888
Type: Neutral
Formula: C3H9O3P
SMILES:   P(OC)(OC)(=O)C
InChI:   InChI=1/C3H9O3P/c1-5-7(3,4)6-2/h1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=8.46142 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.076 g/mol  logS: 0.38862  SlogP: 0.0319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.155008  Sterimol/B1: 2.41227  Sterimol/B2: 2.64633  Sterimol/B3: 3.63893
  Sterimol/B4: 5.7271  Sterimol/L: 7.93949 
 
 Surface and Volume Properties
  Accessible surface: 290.132  Positive charged surface: 218.992  Negative charged surface: 71.1395  Volume: 110.25
  Hydrophobic surface: 217.443  Hydrophilic surface: 72.689
 
 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.