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ASINEX-ZINC00275479

 MMsINC code: MMs00105838
Type: Neutral
Formula: C17H16N2O
SMILES:   Oc1ccc(cc1-c1n[nH]c(c1)-c1ccc(cc1)C)C
InChI:   InChI=1/C17H16N2O/c1-11-3-6-13(7-4-11)15-10-16(19-18-15)14-9-12(2)5-8-17(14)20/h3-10,20H,1-2H3,(H,18,19)

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Potential Energy
Epot(MMFF94)=73.1974 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.328 g/mol  logS: -5.19717  SlogP: 4.06614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00562636  Sterimol/B1: 2.49083  Sterimol/B2: 2.51064  Sterimol/B3: 4.06752
  Sterimol/B4: 4.60132  Sterimol/L: 17.1499 
 
 Surface and Volume Properties
  Accessible surface: 517.928  Positive charged surface: 295.3  Negative charged surface: 222.628  Volume: 270.375
  Hydrophobic surface: 420.44  Hydrophilic surface: 97.488
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.