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PUBCHEM-ZINC03651256

 MMsINC code: MMs03034101
Type: Ionized
Formula: C6H9O6P-2
SMILES:   P(OCC(=O)C(=O)CCC)(=O)([O-])[O-]
InChI:   InChI=1/C6H11O6P/c1-2-3-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)/p-2

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Potential Energy
Epot(MMFF94)=-0.00123507 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.106 g/mol  logS: -0.70567  SlogP: -2.3002  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.039862  Sterimol/B1: 3.0608  Sterimol/B2: 3.11845  Sterimol/B3: 3.35006
  Sterimol/B4: 3.44881  Sterimol/L: 14.0354 
 
 Surface and Volume Properties
  Accessible surface: 386.613  Positive charged surface: 182.338  Negative charged surface: 204.275  Volume: 163.25
  Hydrophobic surface: 159.103  Hydrophilic surface: 227.51
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 3  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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MMs03034100
PUBCHEM-ZINC03651256