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PUBCHEM-ZINC05830170

 MMsINC code: MMs03405040
Type: Ionized
Formula: C3H6O6P-
SMILES:   P(O)(O)(=O)CC(O)C(=O)[O-]
InChI:   InChI=1/C3H7O6P/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)/p-1/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=-53.0994 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 169.049 g/mol  logS: 1.02523  SlogP: -3.7953  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.14939  Sterimol/B1: 2.57746  Sterimol/B2: 2.74355  Sterimol/B3: 3.71487
  Sterimol/B4: 4.05761  Sterimol/L: 9.81306 
 
 Surface and Volume Properties
  Accessible surface: 295.761  Positive charged surface: 131.551  Negative charged surface: 164.21  Volume: 116.25
  Hydrophobic surface: 55.9049  Hydrophilic surface: 239.8561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 2  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:


MMs03405039
PUBCHEM-ZINC05830170