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IBS-ZINC00542828

 MMsINC code: MMs01751414
Type: Neutral
Formula: C19H20N2O4
SMILES:   O(C)c1cc(ccc1OC)-c1c(n[nH]c1C)-c1ccc(OC)cc1O
InChI:   InChI=1/C19H20N2O4/c1-11-18(12-5-8-16(24-3)17(9-12)25-4)19(21-20-11)14-7-6-13(23-2)10-15(14)22/h5-10,22H,1-4H3,(H,20,21)

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Potential Energy
Epot(MMFF94)=113.259 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.379 g/mol  logS: -4.74506  SlogP: 3.78352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240894  Sterimol/B1: 3.2322  Sterimol/B2: 3.8781  Sterimol/B3: 5.19253
  Sterimol/B4: 9.66473  Sterimol/L: 13.0432 
 
 Surface and Volume Properties
  Accessible surface: 598.813  Positive charged surface: 455.114  Negative charged surface: 143.699  Volume: 326.625
  Hydrophobic surface: 464.663  Hydrophilic surface: 134.15
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.