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PUBCHEM-ZINC01530425

 MMsINC code: MMs02813327
Type: Neutral
Formula: C3H9O4P
SMILES:   P(O)(O)(=O)CC(O)C
InChI:   InChI=1/C3H9O4P/c1-3(4)2-8(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-44.1397 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 140.075 g/mol  logS: 0.95431  SlogP: -1.5253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.151913  Sterimol/B1: 2.76156  Sterimol/B2: 2.77162  Sterimol/B3: 3.72284
  Sterimol/B4: 3.81821  Sterimol/L: 9.74796 
 
 Surface and Volume Properties
  Accessible surface: 299.577  Positive charged surface: 187.616  Negative charged surface: 111.961  Volume: 113.875
  Hydrophobic surface: 103.727  Hydrophilic surface: 195.85
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.