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IBS-ZINC05426865

 MMsINC code: MMs01946443
Type: Neutral
Formula: C18H17NO4
SMILES:   o1nc(C)c(c1-c1ccc(OC)cc1O)-c1ccc(OC)cc1
InChI:   InChI=1/C18H17NO4/c1-11-17(12-4-6-13(21-2)7-5-12)18(23-19-11)15-9-8-14(22-3)10-16(15)20/h4-10,20H,1-3H3

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Potential Energy
Epot(MMFF94)=121.633 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.337 g/mol  logS: -4.90499  SlogP: 4.03982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0825913  Sterimol/B1: 2.68341  Sterimol/B2: 3.13378  Sterimol/B3: 3.88298
  Sterimol/B4: 9.94721  Sterimol/L: 12.1712 
 
 Surface and Volume Properties
  Accessible surface: 548.961  Positive charged surface: 378.674  Negative charged surface: 170.287  Volume: 291.875
  Hydrophobic surface: 459.595  Hydrophilic surface: 89.366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.