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ASINEX-ZINC00275474

 MMsINC code: MMs00105837
Type: Neutral
Formula: C16H14N2O
SMILES:   Oc1cc(ccc1-c1n[nH]c(c1)-c1ccccc1)C
InChI:   InChI=1/C16H14N2O/c1-11-7-8-13(16(19)9-11)15-10-14(17-18-15)12-5-3-2-4-6-12/h2-10,19H,1H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=69.3661 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.301 g/mol  logS: -4.72325  SlogP: 3.75772  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00407639  Sterimol/B1: 2.1709  Sterimol/B2: 2.50952  Sterimol/B3: 3.44409
  Sterimol/B4: 5.23103  Sterimol/L: 16.3529 
 
 Surface and Volume Properties
  Accessible surface: 491.992  Positive charged surface: 274.006  Negative charged surface: 217.986  Volume: 249.625
  Hydrophobic surface: 393.877  Hydrophilic surface: 98.115
 
 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.