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


PUBCHEM-ZINC03600553

MMsINC code: MMs03018739

Type: Neutral
Formula: C24H34N2O
SMILES:   OC(C(Cc1ccccc1)CN1CCN(CC1)C)(C(C)C)c1ccccc1
InChI:   InChI=1/C24H34N2O/c1-20(2)24(27,22-12-8-5-9-13-22)23(18-21-10-6-4-7-11-21)19-26-16-14-25(3)15-17-26/h4-13,20,23,27H,14-19H2,1-3H3/t23-,24+/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)=166.137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.549 g/mol  logS: -3.73697  SlogP: 3.94797  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.190699  Sterimol/B1: 3.74506  Sterimol/B2: 4.4049  Sterimol/B3: 6.3055
  Sterimol/B4: 7.04184  Sterimol/L: 14.7069 
 
 Surface and Volume Properties
  Accessible surface: 616.48  Positive charged surface: 456.821  Negative charged surface: 159.659  Volume: 392.25
  Hydrophobic surface: 565.268  Hydrophilic surface: 51.212
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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


MMs03018740
PUBCHEM-ZINC03600553