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


ENAMINE-ZINC03428197

 MMsINC code: MMs01435842
Type: Neutral
Formula: C23H28N2O2
SMILES:   O=C(NC(CC(=O)NC1CCCCCC1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H28N2O2/c26-22(24-20-15-9-1-2-10-16-20)17-21(18-11-5-3-6-12-18)25-23(27)19-13-7-4-8-14-19/h3-8,11-14,20-21H,1-2,9-10,15-17H2,(H,24,26)(H,25,27)/t21-/m1/s1

Download   format file 
Drug Similarity  |  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)=72.3553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 364.489 g/mol  logS: -5.33976  SlogP: 4.4823  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115426  Sterimol/B1: 2.42227  Sterimol/B2: 3.56527  Sterimol/B3: 4.29873
  Sterimol/B4: 11.1316  Sterimol/L: 15.9123 
 
 Surface and Volume Properties
  Accessible surface: 674.215  Positive charged surface: 433.381  Negative charged surface: 240.835  Volume: 378.5
  Hydrophobic surface: 619.138  Hydrophilic surface: 55.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.