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CHEMBRIDGE-ZINC04685153

 MMsINC code: MMs00776640
Type: Neutral
Formula: C19H22N2O2
SMILES:   O(\N=C(\N)/c1cc(ccc1)C)C(=O)c1ccc(cc1)C(C)(C)C
InChI:   InChI=1/C19H22N2O2/c1-13-6-5-7-15(12-13)17(20)21-23-18(22)14-8-10-16(11-9-14)19(2,3)4/h5-12H,1-4H3,(H2,20,21)

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Potential Energy
Epot(MMFF94)=119.627 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 310.397 g/mol  logS: -6.42173  SlogP: 3.76982  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0174649  Sterimol/B1: 2.42421  Sterimol/B2: 3.62255  Sterimol/B3: 3.62602
  Sterimol/B4: 5.83529  Sterimol/L: 19.0771 
 
 Surface and Volume Properties
  Accessible surface: 591.931  Positive charged surface: 353.342  Negative charged surface: 238.589  Volume: 318.75
  Hydrophobic surface: 438.163  Hydrophilic surface: 153.768
 
 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.