logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


ENAMINE-ZINC03592751

 MMsINC code: MMs01519250
Type: Neutral
Formula: C19H33N3O3
SMILES:   O=C1N(CC(=O)N(CC(C)C)CC(C)C)C(=O)NC12CCCCCC2
InChI:   InChI=1/C19H33N3O3/c1-14(2)11-21(12-15(3)4)16(23)13-22-17(24)19(20-18(22)25)9-7-5-6-8-10-19/h14-15H,5-13H2,1-4H3,(H,20,25)

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=81.1765 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.491 g/mol  logS: -3.54893  SlogP: 2.7718  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0851194  Sterimol/B1: 2.28822  Sterimol/B2: 3.57033  Sterimol/B3: 3.99189
  Sterimol/B4: 9.06568  Sterimol/L: 15.5592 
 
 Surface and Volume Properties
  Accessible surface: 615.544  Positive charged surface: 425.439  Negative charged surface: 190.105  Volume: 360.625
  Hydrophobic surface: 446.433  Hydrophilic surface: 169.111
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.