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PUBCHEM-ZINC05157945

 MMsINC code: MMs03214283
Type: Neutral
Formula: C2H5O4P
SMILES:   P(OC=C)(O)(O)=O
InChI:   InChI=1/C2H5O4P/c1-2-6-7(3,4)5/h2H,1H2,(H2,3,4,5)

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Potential Energy
Epot(MMFF94)=-52.7028 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.032 g/mol  logS: 0.68322  SlogP: -0.831  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.12673  Sterimol/B1: 2.29398  Sterimol/B2: 2.62346  Sterimol/B3: 3.40521
  Sterimol/B4: 3.69377  Sterimol/L: 9.38788 
 
 Surface and Volume Properties
  Accessible surface: 273.099  Positive charged surface: 124.358  Negative charged surface: 148.741  Volume: 91
  Hydrophobic surface: 71.6681  Hydrophilic surface: 201.4309
 
 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.