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ENAMINE-ZINC05211060

MMsINC code: MMs01597497

Type: Neutral
Formula: C23H23N3O3
SMILES:   O(C(=O)c1c(n(nc1C)-c1ccccc1)C)C(C(=O)N1CCc2c1cccc2)C
InChI:   InChI=1/C23H23N3O3/c1-15-21(16(2)26(24-15)19-10-5-4-6-11-19)23(28)29-17(3)22(27)25-14-13-18-9-7-8-12-20(18)25/h4-12,17H,13-14H2,1-3H3/t17-/m0/s1

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Potential Energy
Epot(MMFF94)=122.152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.455 g/mol  logS: -4.94882  SlogP: 3.62371  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0560738  Sterimol/B1: 2.21883  Sterimol/B2: 2.56099  Sterimol/B3: 5.88297
  Sterimol/B4: 6.50888  Sterimol/L: 20.2817 
 
 Surface and Volume Properties
  Accessible surface: 678.407  Positive charged surface: 388.363  Negative charged surface: 290.044  Volume: 381.5
  Hydrophobic surface: 590.595  Hydrophilic surface: 87.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.