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


ASINEX-ZINC00840249

 MMsINC code: MMs00187675
Type: Neutral
Formula: C24H25NO2
SMILES:   o1cccc1CNC(=O)C1(CC(c2c(cccc2)C1c1ccccc1)C)C
InChI:   InChI=1/C24H25NO2/c1-17-15-24(2,23(26)25-16-19-11-8-14-27-19)22(18-9-4-3-5-10-18)21-13-7-6-12-20(17)21/h3-14,17,22H,15-16H2,1-2H3,(H,25,26)/t17-,22+,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)=104.84 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.469 g/mol  logS: -5.92697  SlogP: 5.5078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.104937  Sterimol/B1: 1.99715  Sterimol/B2: 3.44494  Sterimol/B3: 4.13169
  Sterimol/B4: 10.7499  Sterimol/L: 16.1406 
 
 Surface and Volume Properties
  Accessible surface: 618.091  Positive charged surface: 365.146  Negative charged surface: 252.945  Volume: 364.125
  Hydrophobic surface: 550.463  Hydrophilic surface: 67.628
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.