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PUBCHEM-ZINC05829605

 MMsINC code: MMs03404671
Type: Ionized
Formula: C3H5O6P-2
SMILES:   P(OC(CO)C=O)(=O)([O-])[O-]
InChI:   InChI=1/C3H7O6P/c4-1-3(2-5)9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/p-2/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=-5.83147 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 168.041 g/mol  logS: 0.85137  SlogP: -3.6787  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.274607  Sterimol/B1: 2.26643  Sterimol/B2: 2.45302  Sterimol/B3: 3.24842
  Sterimol/B4: 4.83221  Sterimol/L: 8.73544 
 
 Surface and Volume Properties
  Accessible surface: 299.804  Positive charged surface: 125.364  Negative charged surface: 174.441  Volume: 116.25
  Hydrophobic surface: 75.4702  Hydrophilic surface: 224.3338
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 3  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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Parent related molecule:


MMs03404670
PUBCHEM-ZINC05829605