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ENAMINE-ZINC05211148

 MMsINC code: MMs01597580
Type: Neutral
Formula: C23H25N3O3
SMILES:   O(C(=O)c1c(n(nc1C)-c1ccccc1)C)CC(=O)N(Cc1ccccc1C)C
InChI:   InChI=1/C23H25N3O3/c1-16-10-8-9-11-19(16)14-25(4)21(27)15-29-23(28)22-17(2)24-26(18(22)3)20-12-6-5-7-13-20/h5-13H,14-15H2,1-4H3

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Potential Energy
Epot(MMFF94)=115.137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 391.471 g/mol  logS: -4.8557  SlogP: 3.87936  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.074009  Sterimol/B1: 2.48336  Sterimol/B2: 5.1982  Sterimol/B3: 5.62203
  Sterimol/B4: 6.34045  Sterimol/L: 19.1477 
 
 Surface and Volume Properties
  Accessible surface: 716.106  Positive charged surface: 417.988  Negative charged surface: 298.118  Volume: 390.5
  Hydrophobic surface: 631.145  Hydrophilic surface: 84.961
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.