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ENAMINE-ZINC03564987

 MMsINC code: MMs01510936
Type: Neutral
Formula: C19H23N3O5
SMILES:   o1nc(C)c(C(OCC(=O)N(CC(=O)Nc2ccccc2CC)C)=O)c1C
InChI:   InChI=1/C19H23N3O5/c1-5-14-8-6-7-9-15(14)20-16(23)10-22(4)17(24)11-26-19(25)18-12(2)21-27-13(18)3/h6-9H,5,10-11H2,1-4H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=106.663 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 373.409 g/mol  logS: -3.77844  SlogP: 2.10771  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103373  Sterimol/B1: 2.52511  Sterimol/B2: 3.47412  Sterimol/B3: 6.1805
  Sterimol/B4: 6.76462  Sterimol/L: 17.8064 
 
 Surface and Volume Properties
  Accessible surface: 679.236  Positive charged surface: 413.362  Negative charged surface: 265.875  Volume: 355.125
  Hydrophobic surface: 540.371  Hydrophilic surface: 138.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.