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ENAMINE-ZINC03499860

 MMsINC code: MMs01476208
Type: Neutral
Formula: C22H23N3O3
SMILES:   O(C(=O)c1c(n(nc1C)Cc1ccccc1)C)CC(=O)NCc1ccccc1
InChI:   InChI=1/C22H23N3O3/c1-16-21(17(2)25(24-16)14-19-11-7-4-8-12-19)22(27)28-15-20(26)23-13-18-9-5-3-6-10-18/h3-12H,13-15H2,1-2H3,(H,23,26)

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Potential Energy
Epot(MMFF94)=84.2812 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.444 g/mol  logS: -4.43181  SlogP: 3.55424  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0341191  Sterimol/B1: 2.16405  Sterimol/B2: 3.26676  Sterimol/B3: 4.12233
  Sterimol/B4: 7.87463  Sterimol/L: 21.5679 
 
 Surface and Volume Properties
  Accessible surface: 705.699  Positive charged surface: 420.836  Negative charged surface: 284.863  Volume: 374.25
  Hydrophobic surface: 590.332  Hydrophilic surface: 115.367
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.