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


NCID-ZINC04707350

 MMsINC code: MMs02395415
Type: Neutral
Formula: C17H26N2O
SMILES:   OC(CC1CCCNC1)CN1CCCc2c1cccc2
InChI:   InChI=1/C17H26N2O/c20-16(11-14-5-3-9-18-12-14)13-19-10-4-7-15-6-1-2-8-17(15)19/h1-2,6,8,14,16,18,20H,3-5,7,9-13H2/t14-,16-/m0/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)=99.9322 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.408 g/mol  logS: -2.09281  SlogP: 2.18977  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441849  Sterimol/B1: 2.55951  Sterimol/B2: 3.35321  Sterimol/B3: 4.09734
  Sterimol/B4: 6.47454  Sterimol/L: 16.1514 
 
 Surface and Volume Properties
  Accessible surface: 534.601  Positive charged surface: 409.928  Negative charged surface: 124.673  Volume: 292.25
  Hydrophobic surface: 461.036  Hydrophilic surface: 73.565
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs02395416
NCID-ZINC04707350