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


COMGENEX-ZINC06705155

 MMsINC code: MMs01189169
Type: Neutral
Formula: C24H30N2O4
SMILES:   O(C)c1cc(ccc1OC)C(CC(=O)NCCCOC)c1c2c(n(c1)C)cccc2
InChI:   InChI=1/C24H30N2O4/c1-26-16-20(18-8-5-6-9-21(18)26)19(15-24(27)25-12-7-13-28-2)17-10-11-22(29-3)23(14-17)30-4/h5-6,8-11,14,16,19H,7,12-13,15H2,1-4H3,(H,25,27)/t19-/m0/s1

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)=103.176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.514 g/mol  logS: -3.74594  SlogP: 4.2294  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.17666  Sterimol/B1: 2.16225  Sterimol/B2: 3.94777  Sterimol/B3: 8.15844
  Sterimol/B4: 8.30019  Sterimol/L: 19.794 
 
 Surface and Volume Properties
  Accessible surface: 758.392  Positive charged surface: 607.262  Negative charged surface: 148.585  Volume: 416.25
  Hydrophobic surface: 692.844  Hydrophilic surface: 65.548
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.