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


COMGENEX-ZINC04918510

 MMsINC code: MMs01168596
Type: Neutral
Formula: C24H34N4O2
SMILES:   O=C(N(Cc1n(ccc1)C)C1CC1)CN(CC(C)C)C(=O)Nc1ccccc1CC
InChI:   InChI=1/C24H34N4O2/c1-5-19-9-6-7-11-22(19)25-24(30)27(15-18(2)3)17-23(29)28(20-12-13-20)16-21-10-8-14-26(21)4/h6-11,14,18,20H,5,12-13,15-17H2,1-4H3,(H,25,30)

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)=90.0268 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.562 g/mol  logS: -3.60565  SlogP: 4.89417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.158154  Sterimol/B1: 3.977  Sterimol/B2: 4.93964  Sterimol/B3: 6.36409
  Sterimol/B4: 7.24055  Sterimol/L: 17.4339 
 
 Surface and Volume Properties
  Accessible surface: 703.433  Positive charged surface: 462.17  Negative charged surface: 241.263  Volume: 429.25
  Hydrophobic surface: 548.528  Hydrophilic surface: 154.905
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.