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


PUBCHEM-ZINC05551661

 MMsINC code: MMs03304850
Type: Neutral
Formula: C26H32N2O
SMILES:   O=C1CC(C(C)C(\C=C\c2ccc(N(C)C)cc2)=C1C)c1ccc(N(C)C)cc1
InChI:   InChI=1/C26H32N2O/c1-18-24(16-9-20-7-12-22(13-8-20)27(3)4)19(2)26(29)17-25(18)21-10-14-23(15-11-21)28(5)6/h7-16,18,25H,17H2,1-6H3/b16-9+/t18-,25-/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)=163.108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.555 g/mol  logS: -5.65497  SlogP: 5.541  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0563539  Sterimol/B1: 3.5617  Sterimol/B2: 3.77504  Sterimol/B3: 4.22601
  Sterimol/B4: 7.1879  Sterimol/L: 20.7103 
 
 Surface and Volume Properties
  Accessible surface: 709.815  Positive charged surface: 524.838  Negative charged surface: 184.978  Volume: 416.875
  Hydrophobic surface: 655.838  Hydrophilic surface: 53.977
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.