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


PUBCHEM-ZINC03688237

 MMsINC code: MMs03042594
Type: Neutral
Formula: C26H28N2
SMILES:   [nH]1c2c(c(CCCCN)c1-c1ccccc1-c1ccccc1)c(cc(c2)C)C
InChI:   InChI=1/C26H28N2/c1-18-16-19(2)25-23(14-8-9-15-27)26(28-24(25)17-18)22-13-7-6-12-21(22)20-10-4-3-5-11-20/h3-7,10-13,16-17,28H,8-9,14-15,27H2,1-2H3

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)=88.6018 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 368.524 g/mol  logS: -7.57411  SlogP: 6.40011  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.37112  Sterimol/B1: 4.65044  Sterimol/B2: 5.52233  Sterimol/B3: 6.26469
  Sterimol/B4: 6.86908  Sterimol/L: 13.9745 
 
 Surface and Volume Properties
  Accessible surface: 653.868  Positive charged surface: 431.419  Negative charged surface: 219.369  Volume: 396.875
  Hydrophobic surface: 569.405  Hydrophilic surface: 84.463
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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


MMs03042595
PUBCHEM-ZINC03688237