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ALFAAESAR-ZINC03830895

 MMsINC code: MMs00024288
Type: Ionized
Formula: C3H7O6P-2
SMILES:   P(OCC(O)CO)(=O)([O-])[O-]
InChI:   InChI=1/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/p-2/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=-0.726875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.057 g/mol  logS: 1.08646  SlogP: -3.8853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107001  Sterimol/B1: 2.43655  Sterimol/B2: 2.95585  Sterimol/B3: 3.17736
  Sterimol/B4: 3.90083  Sterimol/L: 10.6898 
 
 Surface and Volume Properties
  Accessible surface: 316.27  Positive charged surface: 151.741  Negative charged surface: 164.529  Volume: 121.125
  Hydrophobic surface: 99.1922  Hydrophilic surface: 217.0778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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:


MMs00024287
ALFAAESAR-ZINC03830895