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ALFAAESAR-ZINC01678159

 MMsINC code: MMs00021745
Type: Neutral
Formula: C7H7O6P
SMILES:   P(Oc1ccccc1C(O)=O)(O)(O)=O
InChI:   InChI=1/C7H7O6P/c8-7(9)5-3-1-2-4-6(5)13-14(10,11)12/h1-4H,(H,8,9)(H2,10,11,12)

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Potential Energy
Epot(MMFF94)=-28.7004 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.101 g/mol  logS: -0.84706  SlogP: -0.2139  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0535122  Sterimol/B1: 2.90864  Sterimol/B2: 3.05771  Sterimol/B3: 3.38713
  Sterimol/B4: 6.45392  Sterimol/L: 10.5539 
 
 Surface and Volume Properties
  Accessible surface: 365.811  Positive charged surface: 180.53  Negative charged surface: 185.282  Volume: 165.875
  Hydrophobic surface: 147.144  Hydrophilic surface: 218.667
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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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Ions/Tautomers related molecules


MMs00021746
ALFAAESAR-ZINC01678159