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IBS-ZINC02352688

MMsINC code: MMs01840882

Type: Ionized
Formula: C5H7O6P-2
SMILES:   [PH](O)(=O)CC(CC(=O)[O-])C(=O)[O-]
InChI:   InChI=1/C5H9O6P/c6-4(7)1-3(5(8)9)2-12(10)11/h3,12H,1-2H2,(H,6,7)(H,8,9)(H,10,11)/p-2/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-1.1148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.079 g/mol  logS: 0.22605  SlogP: -4.1107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139183  Sterimol/B1: 2.54952  Sterimol/B2: 2.84585  Sterimol/B3: 3.82804
  Sterimol/B4: 4.61379  Sterimol/L: 11.5221 
 
 Surface and Volume Properties
  Accessible surface: 338.413  Positive charged surface: 137.602  Negative charged surface: 200.811  Volume: 146
  Hydrophobic surface: 87.6061  Hydrophilic surface: 250.8069
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 4  Basic groups: 0
  Chiral centers: 2
 
 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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MMs01840881
IBS-ZINC02352688