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PUBCHEM-ZINC06485449

 MMsINC code: MMs03761591
Type: Neutral
Formula: C4H9O6P
SMILES:   P(OCC(=O)C(O)C)(O)(O)=O
InChI:   InChI=1/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h3,5H,2H2,1H3,(H2,7,8,9)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-48.6461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 184.084 g/mol  logS: 0.3684  SlogP: -2.0246  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0868904  Sterimol/B1: 2.55916  Sterimol/B2: 2.98283  Sterimol/B3: 3.37985
  Sterimol/B4: 4.08141  Sterimol/L: 11.5804 
 
 Surface and Volume Properties
  Accessible surface: 358.017  Positive charged surface: 199.706  Negative charged surface: 158.311  Volume: 139.5
  Hydrophobic surface: 95.2145  Hydrophilic surface: 262.8025
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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


MMs03761592
PUBCHEM-ZINC06485449