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PUBCHEM-ZINC03833869

 MMsINC code: MMs03077510
Type: Neutral
Formula: C19H26N2O4
SMILES:   O=C1NC(=O)N(COCCO)C(Cc2cc(cc(c2)C)C)=C1C(C)C
InChI:   InChI=1/C19H26N2O4/c1-12(2)17-16(10-15-8-13(3)7-14(4)9-15)21(11-25-6-5-22)19(24)20-18(17)23/h7-9,12,22H,5-6,10-11H2,1-4H3,(H,20,23,24)

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Potential Energy
Epot(MMFF94)=67.6581 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.427 g/mol  logS: -4.07606  SlogP: 2.27421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.19551  Sterimol/B1: 3.08036  Sterimol/B2: 5.53877  Sterimol/B3: 5.54462
  Sterimol/B4: 6.34136  Sterimol/L: 14.8873 
 
 Surface and Volume Properties
  Accessible surface: 584.956  Positive charged surface: 393.494  Negative charged surface: 191.461  Volume: 340.25
  Hydrophobic surface: 392.209  Hydrophilic surface: 192.747
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.