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


CHEMDIV-ZINC04881629

 MMsINC code: MMs00960427
Type: Neutral
Formula: C24H34N4O2
SMILES:   O=C(Nc1cc2c(nc(N3CCC(CC3)C)cc2C)cc1)CCC(=O)NCCCC
InChI:   InChI=1/C24H34N4O2/c1-4-5-12-25-23(29)8-9-24(30)26-19-6-7-21-20(16-19)18(3)15-22(27-21)28-13-10-17(2)11-14-28/h6-7,15-17H,4-5,8-14H2,1-3H3,(H,25,29)(H,26,30)

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)=95.2014 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.562 g/mol  logS: -5.13808  SlogP: 4.41452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0126215  Sterimol/B1: 2.74197  Sterimol/B2: 2.85488  Sterimol/B3: 3.67302
  Sterimol/B4: 7.15603  Sterimol/L: 26.2822 
 
 Surface and Volume Properties
  Accessible surface: 776.943  Positive charged surface: 579.912  Negative charged surface: 191.634  Volume: 421.375
  Hydrophobic surface: 614.19  Hydrophilic surface: 162.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.