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


ASINEX-ZINC00630034

 MMsINC code: MMs00143368
Type: Neutral
Formula: C26H21NO2
SMILES:   O=C1N(C(=O)C2C1C1c3c(C2c2c1cccc2)cccc3)c1cc(C)c(cc1)C
InChI:   InChI=1/C26H21NO2/c1-14-11-12-16(13-15(14)2)27-25(28)23-21-17-7-3-4-8-18(17)22(24(23)26(27)29)20-10-6-5-9-19(20)21/h3-13,21-24H,1-2H3/t21-,22+,23-,24-/m0/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)=194.858 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.459 g/mol  logS: -6.13059  SlogP: 4.70004  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148838  Sterimol/B1: 3.71487  Sterimol/B2: 4.10338  Sterimol/B3: 4.90974
  Sterimol/B4: 6.54694  Sterimol/L: 16.3553 
 
 Surface and Volume Properties
  Accessible surface: 622.553  Positive charged surface: 345.649  Negative charged surface: 276.904  Volume: 366.375
  Hydrophobic surface: 565.025  Hydrophilic surface: 57.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.