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PUBCHEM-ZINC03869935

 MMsINC code: MMs03079080
Type: Ionized
Formula: C3H5O6P-2
SMILES:   P(OCC(O)C=O)(=O)([O-])[O-]
InChI:   InChI=1/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/p-2/t3-/m1/s1

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Potential Energy
Epot(MMFF94)=-8.0169 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: 0.142685  Sterimol/B1: 2.5702  Sterimol/B2: 2.75909  Sterimol/B3: 3.0624
  Sterimol/B4: 4.30031  Sterimol/L: 9.3618 
 
 Surface and Volume Properties
  Accessible surface: 293.66  Positive charged surface: 123.388  Negative charged surface: 170.272  Volume: 116.25
  Hydrophobic surface: 68.5649  Hydrophilic surface: 225.0951
 
 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:


MMs03079079
PUBCHEM-ZINC03869935