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PUBCHEM-ZINC06519835

 MMsINC code: MMs03778462
Type: Neutral
Formula: C2H5O4P
SMILES:   P(O)(=O)(C(O)=O)C
InChI:   InChI=1/C2H5O4P/c1-7(5,6)2(3)4/h1H3,(H,3,4)(H,5,6)

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Potential Energy
Epot(MMFF94)=19.5915 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 124.032 g/mol  logS: 0.93656  SlogP: -0.5056  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.186203  Sterimol/B1: 2.34432  Sterimol/B2: 2.5677  Sterimol/B3: 3.81096
  Sterimol/B4: 4.5757  Sterimol/L: 8.14016 
 
 Surface and Volume Properties
  Accessible surface: 265.508  Positive charged surface: 134.644  Negative charged surface: 130.865  Volume: 91.75
  Hydrophobic surface: 57.1523  Hydrophilic surface: 208.3557
 
 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.