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CHEMDIV-ZINC04880670

 MMsINC code: MMs00960176
Type: Neutral
Formula: C19H18N2O6
SMILES:   o1nc(cc1-c1ccc(O)cc1)C(=O)Nc1cc(OC)c(OC)c(OC)c1
InChI:   InChI=1/C19H18N2O6/c1-24-16-8-12(9-17(25-2)18(16)26-3)20-19(23)14-10-15(27-21-14)11-4-6-13(22)7-5-11/h4-10,22H,1-3H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=130.138 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.361 g/mol  logS: -4.33851  SlogP: 3.3253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0169005  Sterimol/B1: 2.50939  Sterimol/B2: 2.6676  Sterimol/B3: 3.02972
  Sterimol/B4: 8.90745  Sterimol/L: 20.4092 
 
 Surface and Volume Properties
  Accessible surface: 643.373  Positive charged surface: 450.382  Negative charged surface: 192.991  Volume: 335.25
  Hydrophobic surface: 499.132  Hydrophilic surface: 144.241
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.