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ASINEX-ZINC00284145

 MMsINC code: MMs00108253
Type: Neutral
Formula: C19H18N2O2
SMILES:   O1C(=N\C(=C/Nc2c(cc(cc2C)C)C)\C1=O)c1ccccc1
InChI:   InChI=1/C19H18N2O2/c1-12-9-13(2)17(14(3)10-12)20-11-16-19(22)23-18(21-16)15-7-5-4-6-8-15/h4-11,20H,1-3H3/b16-11-

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Potential Energy
Epot(MMFF94)=95.6574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.365 g/mol  logS: -5.44152  SlogP: 3.86876  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0549298  Sterimol/B1: 3.4558  Sterimol/B2: 4.09394  Sterimol/B3: 4.21534
  Sterimol/B4: 5.3476  Sterimol/L: 17.7642 
 
 Surface and Volume Properties
  Accessible surface: 576.516  Positive charged surface: 336.495  Negative charged surface: 240.021  Volume: 305.75
  Hydrophobic surface: 485.497  Hydrophilic surface: 91.019
 
 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.