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ASINEX-ZINC00341923

 MMsINC code: MMs00121213
Type: Neutral
Formula: C22H16N2O2
SMILES:   O1c2cc(ccc2OC1)-c1[nH]c(c(n1)-c1ccccc1)-c1ccccc1
InChI:   InChI=1/C22H16N2O2/c1-3-7-15(8-4-1)20-21(16-9-5-2-6-10-16)24-22(23-20)17-11-12-18-19(13-17)26-14-25-18/h1-13H,14H2,(H,23,24)

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Potential Energy
Epot(MMFF94)=88.1686 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.382 g/mol  logS: -7.42022  SlogP: 5.1394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0306096  Sterimol/B1: 2.85034  Sterimol/B2: 2.85212  Sterimol/B3: 3.24152
  Sterimol/B4: 9.13422  Sterimol/L: 16.4521 
 
 Surface and Volume Properties
  Accessible surface: 594.026  Positive charged surface: 353.572  Negative charged surface: 240.455  Volume: 326.375
  Hydrophobic surface: 518.828  Hydrophilic surface: 75.198
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.