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ASINEX-ZINC00418559

 MMsINC code: MMs00132476
Type: Neutral
Formula: C18H16N2O5
SMILES:   O\1c2cc(O)ccc2C=C(C(=O)N)/C/1=N/c1cc(OC)ccc1OC
InChI:   InChI=1/C18H16N2O5/c1-23-12-5-6-15(24-2)14(9-12)20-18-13(17(19)22)7-10-3-4-11(21)8-16(10)25-18/h3-9,21H,1-2H3,(H2,19,22)/b20-18-

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Potential Energy
Epot(MMFF94)=97.1996 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.335 g/mol  logS: -4.71659  SlogP: 2.4007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237962  Sterimol/B1: 2.33457  Sterimol/B2: 3.33731  Sterimol/B3: 7.08553
  Sterimol/B4: 8.476  Sterimol/L: 13.6718 
 
 Surface and Volume Properties
  Accessible surface: 582.109  Positive charged surface: 403.901  Negative charged surface: 178.207  Volume: 308.5
  Hydrophobic surface: 410.329  Hydrophilic surface: 171.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.