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PUBCHEM-ZINC05438333

 MMsINC code: MMs03269360
Type: Neutral
Formula: C2H5O4P
SMILES:   P(O)(O)(=O)C(=O)C
InChI:   InChI=1/C2H5O4P/c1-2(3)7(4,5)6/h1H3,(H2,4,5,6)

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Potential Energy
Epot(MMFF94)=-25.0755 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.032 g/mol  logS: 0.68431  SlogP: -1.3596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.194599  Sterimol/B1: 2.96999  Sterimol/B2: 3.23518  Sterimol/B3: 3.32215
  Sterimol/B4: 3.51378  Sterimol/L: 8.46385 
 
 Surface and Volume Properties
  Accessible surface: 266.814  Positive charged surface: 129.27  Negative charged surface: 137.544  Volume: 90.5
  Hydrophobic surface: 80.4072  Hydrophilic surface: 186.4068
 
 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.