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ENAMINE-ZINC03480128

 MMsINC code: MMs01465627
Type: Neutral
Formula: C19H22N2O4
SMILES:   O(C(=O)c1[nH]c(C)c(C(=O)C)c1C)CC(=O)Nc1ccc(cc1C)C
InChI:   InChI=1/C19H22N2O4/c1-10-6-7-15(11(2)8-10)21-16(23)9-25-19(24)18-12(3)17(14(5)22)13(4)20-18/h6-8,20H,9H2,1-5H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=86.5355 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.395 g/mol  logS: -3.7797  SlogP: 3.24648  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0226942  Sterimol/B1: 2.98529  Sterimol/B2: 3.05388  Sterimol/B3: 3.18497
  Sterimol/B4: 6.46487  Sterimol/L: 20.0123 
 
 Surface and Volume Properties
  Accessible surface: 644.893  Positive charged surface: 386.664  Negative charged surface: 258.23  Volume: 333.75
  Hydrophobic surface: 509.321  Hydrophilic surface: 135.572
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.