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PUBCHEM-ZINC05381378

 MMsINC code: MMs03252853
Type: Neutral
Formula: C3H9O3P
SMILES:   [PH](OC(C)C)(O)=O
InChI:   InChI=1/C3H9O3P/c1-3(2)6-7(4)5/h3,7H,1-2H3,(H,4,5)

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Potential Energy
Epot(MMFF94)=-17.1313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.076 g/mol  logS: -0.53195  SlogP: -0.2768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13461  Sterimol/B1: 2.40492  Sterimol/B2: 2.57838  Sterimol/B3: 3.22507
  Sterimol/B4: 4.83907  Sterimol/L: 9.28489 
 
 Surface and Volume Properties
  Accessible surface: 294.393  Positive charged surface: 159.561  Negative charged surface: 134.833  Volume: 108.625
  Hydrophobic surface: 143.222  Hydrophilic surface: 151.171
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.