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


ASINEX-ZINC01370978

 MMsINC code: MMs00250274
Type: Neutral
Formula: C24H29N5O2
SMILES:   O=C(C)c1cc(NC(=O)N2CCN(CC2)c2nc3c(n2CC(C)C)cccc3)ccc1
InChI:   InChI=1/C24H29N5O2/c1-17(2)16-29-22-10-5-4-9-21(22)26-23(29)27-11-13-28(14-12-27)24(31)25-20-8-6-7-19(15-20)18(3)30/h4-10,15,17H,11-14,16H2,1-3H3,(H,25,31)

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)=128.202 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 419.529 g/mol  logS: -5.15126  SlogP: 4.5154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.053221  Sterimol/B1: 2.06019  Sterimol/B2: 4.01941  Sterimol/B3: 4.14475
  Sterimol/B4: 9.4636  Sterimol/L: 21.0947 
 
 Surface and Volume Properties
  Accessible surface: 717.684  Positive charged surface: 474.707  Negative charged surface: 242.977  Volume: 417.125
  Hydrophobic surface: 581.167  Hydrophilic surface: 136.517
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.