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


ENAMINE-ZINC03351204

 MMsINC code: MMs01389723
Type: Neutral
Formula: C25H32N2O2
SMILES:   O1CCN(CC1)C1(CCCCC1)CNC(=O)C(c1ccccc1)c1ccccc1
InChI:   InChI=1/C25H32N2O2/c28-24(23(21-10-4-1-5-11-21)22-12-6-2-7-13-22)26-20-25(14-8-3-9-15-25)27-16-18-29-19-17-27/h1-2,4-7,10-13,23H,3,8-9,14-20H2,(H,26,28)

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)=140.333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.543 g/mol  logS: -4.89545  SlogP: 3.9698  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.157657  Sterimol/B1: 2.56204  Sterimol/B2: 3.80646  Sterimol/B3: 4.54139
  Sterimol/B4: 9.5238  Sterimol/L: 14.7829 
 
 Surface and Volume Properties
  Accessible surface: 646.257  Positive charged surface: 453.373  Negative charged surface: 192.883  Volume: 403.25
  Hydrophobic surface: 611.247  Hydrophilic surface: 35.01
 
 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


MMs01389724
ENAMINE-ZINC03351204