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IBS-ZINC02269952

 MMsINC code: MMs01819793
Type: Neutral
Formula: C13H11O4P
SMILES:   P1(Oc2c(O1)cccc2)(=O)c1ccc(OC)cc1
InChI:   InChI=1/C13H11O4P/c1-15-10-6-8-11(9-7-10)18(14)16-12-4-2-3-5-13(12)17-18/h2-9H,1H3

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Potential Energy
Epot(MMFF94)=70.1325 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.201 g/mol  logS: -3.24428  SlogP: 1.9148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0411748  Sterimol/B1: 2.31258  Sterimol/B2: 3.05359  Sterimol/B3: 4.75806
  Sterimol/B4: 5.03481  Sterimol/L: 15.5998 
 
 Surface and Volume Properties
  Accessible surface: 470.618  Positive charged surface: 263.707  Negative charged surface: 206.912  Volume: 230.25
  Hydrophobic surface: 403.777  Hydrophilic surface: 66.841
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: no related molecules available.