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PUBCHEM-ZINC05131798

 MMsINC code: MMs03206691
Type: Ionized
Formula: C3H6O9P2-4
SMILES:   P(OC(COP(=O)([O-])[O-])CO)(=O)([O-])[O-]
InChI:   InChI=1/C3H10O9P2/c4-1-3(12-14(8,9)10)2-11-13(5,6)7/h3-4H,1-2H2,(H2,5,6,7)(H2,8,9,10)/p-4/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=12.8898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.02 g/mol  logS: 1.15584  SlogP: -6.1025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.135073  Sterimol/B1: 2.1499  Sterimol/B2: 2.61135  Sterimol/B3: 3.70799
  Sterimol/B4: 5.2522  Sterimol/L: 11.3348 
 
 Surface and Volume Properties
  Accessible surface: 363.795  Positive charged surface: 107.979  Negative charged surface: 255.816  Volume: 154.875
  Hydrophobic surface: 84.4242  Hydrophilic surface: 279.3708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 6  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: 0
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Parent related molecule:


MMs03206690
PUBCHEM-ZINC05131798