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


IBS-ZINC05204677

 MMsINC code: MMs01929354
Type: Neutral
Formula: C24H26N4O2
SMILES:   O=C1N2C(=Nc3n(Cc4ccccc4)c(cc13)C(=O)NCCC(C)C)C(=CC=C2)C
InChI:   InChI=1/C24H26N4O2/c1-16(2)11-12-25-23(29)20-14-19-22(28(20)15-18-9-5-4-6-10-18)26-21-17(3)8-7-13-27(21)24(19)30/h4-10,13-14,16H,11-12,15H2,1-3H3,(H,25,29)

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)=128.333 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.498 g/mol  logS: -5.3045  SlogP: 4.5381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676216  Sterimol/B1: 2.50044  Sterimol/B2: 3.45519  Sterimol/B3: 5.63746
  Sterimol/B4: 6.99109  Sterimol/L: 18.7231 
 
 Surface and Volume Properties
  Accessible surface: 657.279  Positive charged surface: 374.643  Negative charged surface: 282.637  Volume: 393.25
  Hydrophobic surface: 515.26  Hydrophilic surface: 142.019
 
 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.