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PUBCHEM-ZINC00048500

 MMsINC code: MMs02630132
Type: Neutral
Formula: C18H20N2O2
SMILES:   O(c1ccc(cc1)\C=N\NC(=O)CC(C)C)c1ccccc1
InChI:   InChI=1/C18H20N2O2/c1-14(2)12-18(21)20-19-13-15-8-10-17(11-9-15)22-16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3,(H,20,21)/b19-13+

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Potential Energy
Epot(MMFF94)=91.5555 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.37 g/mol  logS: -4.79253  SlogP: 3.9751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0367793  Sterimol/B1: 1.969  Sterimol/B2: 3.15736  Sterimol/B3: 4.99675
  Sterimol/B4: 5.991  Sterimol/L: 19.4524 
 
 Surface and Volume Properties
  Accessible surface: 595.403  Positive charged surface: 377.574  Negative charged surface: 217.829  Volume: 303
  Hydrophobic surface: 481.146  Hydrophilic surface: 114.257
 
 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.