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


ASINEX-ZINC04848241

 MMsINC code: MMs00378629
Type: Neutral
Formula: C23H30N4O3
SMILES:   O=C(Nc1ncccc1)CCC(=O)N(Cc1ccccc1)CC(=O)NC(CC)(C)C
InChI:   InChI=1/C23H30N4O3/c1-4-23(2,3)26-21(29)17-27(16-18-10-6-5-7-11-18)22(30)14-13-20(28)25-19-12-8-9-15-24-19/h5-12,15H,4,13-14,16-17H2,1-3H3,(H,26,29)(H,24,25,28)

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)=94.1649 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.518 g/mol  logS: -3.59438  SlogP: 3.4003  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0398064  Sterimol/B1: 2.81467  Sterimol/B2: 3.4428  Sterimol/B3: 3.44314
  Sterimol/B4: 10.0236  Sterimol/L: 21.0956 
 
 Surface and Volume Properties
  Accessible surface: 735.396  Positive charged surface: 490.609  Negative charged surface: 244.787  Volume: 413.125
  Hydrophobic surface: 565.599  Hydrophilic surface: 169.797
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.