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


PUBCHEM-ZINC03736140

 MMsINC code: MMs03063686
Type: Ionized
Formula: C26H27N2O+
SMILES:   O(Cc1ccccc1)c1ccccc1C1[NH2+]CCc2c1[nH]c1c2cc(cc1C)C
InChI:   InChI=1/C26H26N2O/c1-17-14-18(2)24-22(15-17)20-12-13-27-25(26(20)28-24)21-10-6-7-11-23(21)29-16-19-8-4-3-5-9-19/h3-11,14-15,25,27-28H,12-13,16H2,1-2H3/p+1/t25-/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)=70.5593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 383.515 g/mol  logS: -5.94825  SlogP: 4.93451  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.314565  Sterimol/B1: 4.11127  Sterimol/B2: 5.69196  Sterimol/B3: 5.90275
  Sterimol/B4: 6.56802  Sterimol/L: 14.2639 
 
 Surface and Volume Properties
  Accessible surface: 655.487  Positive charged surface: 427.898  Negative charged surface: 221.599  Volume: 401.75
  Hydrophobic surface: 612.905  Hydrophilic surface: 42.582
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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: 0
  search links for this molecule:  
   
Parent related molecule:


MMs03063685
PUBCHEM-ZINC03736140