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CHEMDIV-ZINC06839229

 MMsINC code: MMs01045286
Type: Neutral
Formula: C18H18N2O2
SMILES:   o1nc(c2cc(ccc12)C)CC(=O)Nc1ccc(cc1)CC
InChI:   InChI=1/C18H18N2O2/c1-3-13-5-7-14(8-6-13)19-18(21)11-16-15-10-12(2)4-9-17(15)22-20-16/h4-10H,3,11H2,1-2H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=69.6918 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 294.354 g/mol  logS: -5.52535  SlogP: 3.87976  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0824844  Sterimol/B1: 3.05336  Sterimol/B2: 4.55407  Sterimol/B3: 4.63745
  Sterimol/B4: 4.77937  Sterimol/L: 17.1637 
 
 Surface and Volume Properties
  Accessible surface: 567.435  Positive charged surface: 337.772  Negative charged surface: 225.798  Volume: 292.75
  Hydrophobic surface: 482.306  Hydrophilic surface: 85.129
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.