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PUBCHEM-ZINC00512745

 MMsINC code: MMs02696569
Type: Neutral
Formula: C19H20N2O2
SMILES:   O(Cc1ccccc1)c1ccc(cc1)\C=N\NC(=O)C1CCC1
InChI:   InChI=1/C19H20N2O2/c22-19(17-7-4-8-17)21-20-13-15-9-11-18(12-10-15)23-14-16-5-2-1-3-6-16/h1-3,5-6,9-13,17H,4,7-8,14H2,(H,21,22)/b20-13+

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Potential Energy
Epot(MMFF94)=92.238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 308.381 g/mol  logS: -4.41261  SlogP: 3.7822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0272206  Sterimol/B1: 3.22863  Sterimol/B2: 3.60543  Sterimol/B3: 3.71468
  Sterimol/B4: 5.51184  Sterimol/L: 21.4291 
 
 Surface and Volume Properties
  Accessible surface: 620.721  Positive charged surface: 257.111  Negative charged surface: 196.968  Volume: 314.5
  Hydrophobic surface: 536.077  Hydrophilic surface: 84.644
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.