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PUBCHEM-ZINC00485308

 MMsINC code: MMs02691698
Type: Neutral
Formula: C18H20N2O2
SMILES:   O(C)c1ccc(cc1)C(=O)N\N=C\c1c(cc(cc1C)C)C
InChI:   InChI=1/C18H20N2O2/c1-12-9-13(2)17(14(3)10-12)11-19-20-18(21)15-5-7-16(22-4)8-6-15/h5-11H,1-4H3,(H,20,21)/b19-11+

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Potential Energy
Epot(MMFF94)=115.111 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.37 g/mol  logS: -5.01029  SlogP: 3.38436  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00688391  Sterimol/B1: 2.50774  Sterimol/B2: 2.57505  Sterimol/B3: 4.05012
  Sterimol/B4: 5.40626  Sterimol/L: 19.2368 
 
 Surface and Volume Properties
  Accessible surface: 576.002  Positive charged surface: 376.803  Negative charged surface: 199.199  Volume: 301.75
  Hydrophobic surface: 503.834  Hydrophilic surface: 72.168
 
 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.