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CHEMSTAR-ZINC02008862

 MMsINC code: MMs01079666
Type: Neutral
Formula: C3H7O5P
SMILES:   P(O)(O)(=O)C(OCC)=O
InChI:   InChI=1/C3H7O5P/c1-2-8-3(4)9(5,6)7/h2H2,1H3,(H2,5,6,7)

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Potential Energy
Epot(MMFF94)=-10.6426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.058 g/mol  logS: 0.28764  SlogP: -0.7496  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0921291  Sterimol/B1: 2.91255  Sterimol/B2: 2.94065  Sterimol/B3: 3.46703
  Sterimol/B4: 3.79904  Sterimol/L: 10.9472 
 
 Surface and Volume Properties
  Accessible surface: 318.199  Positive charged surface: 178.547  Negative charged surface: 139.652  Volume: 116.75
  Hydrophobic surface: 106.204  Hydrophilic surface: 211.995
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.