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PUBCHEM-ZINC06491507

 MMsINC code: MMs03765127
Type: Ionized
Formula: C3H4O6P-3
SMILES:   P(OC(C(=O)[O-])C)(=O)([O-])[O-]
InChI:   InChI=1/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)/p-3/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=40.4968 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 167.033 g/mol  logS: 0.09788  SlogP: -4.1001  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.207633  Sterimol/B1: 2.22053  Sterimol/B2: 2.70908  Sterimol/B3: 3.193
  Sterimol/B4: 5.02148  Sterimol/L: 8.82226 
 
 Surface and Volume Properties
  Accessible surface: 293.942  Positive charged surface: 86.0845  Negative charged surface: 207.858  Volume: 114.375
  Hydrophobic surface: 59.6935  Hydrophilic surface: 234.2485
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 5  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:


MMs03765126
PUBCHEM-ZINC06491507