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


PUBCHEM-ZINC03687660

 MMsINC code: MMs03042190
Type: Neutral
Formula: C24H26N2O
SMILES:   O(CC)c1ccccc1-c1[nH]c2c(ccc3c2cccc3)c1CCCCN
InChI:   InChI=1/C24H26N2O/c1-2-27-22-13-6-5-12-21(22)24-19(11-7-8-16-25)20-15-14-17-9-3-4-10-18(17)23(20)26-24/h3-6,9-10,12-15,26H,2,7-8,11,16,25H2,1H3

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)=75.0643 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.485 g/mol  logS: -6.45536  SlogP: 5.66817  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.247454  Sterimol/B1: 2.13712  Sterimol/B2: 2.643  Sterimol/B3: 8.88109
  Sterimol/B4: 9.33899  Sterimol/L: 15.4993 
 
 Surface and Volume Properties
  Accessible surface: 659.364  Positive charged surface: 434.107  Negative charged surface: 210.62  Volume: 375.5
  Hydrophobic surface: 551.807  Hydrophilic surface: 107.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03042191
PUBCHEM-ZINC03687660