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


PUBCHEM-ZINC02008174

 MMsINC code: MMs02847526
Type: Neutral
Formula: C23H30N2
SMILES:   N1(CCCCC1)CCN1CC(c2c1cccc2)(CC)c1ccccc1
InChI:   InChI=1/C23H30N2/c1-2-23(20-11-5-3-6-12-20)19-25(22-14-8-7-13-21(22)23)18-17-24-15-9-4-10-16-24/h3,5-8,11-14H,2,4,9-10,15-19H2,1H3/t23-/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)=153.072 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.507 g/mol  logS: -4.50765  SlogP: 4.6886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.143855  Sterimol/B1: 2.49471  Sterimol/B2: 5.95368  Sterimol/B3: 6.02976
  Sterimol/B4: 6.62399  Sterimol/L: 15.0706 
 
 Surface and Volume Properties
  Accessible surface: 620.068  Positive charged surface: 442.119  Negative charged surface: 177.949  Volume: 362.5
  Hydrophobic surface: 592.794  Hydrophilic surface: 27.274
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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


MMs02847527
PUBCHEM-ZINC02008174