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


CHEMDIV-ZINC02926153

 MMsINC code: MMs00892433
Type: Neutral
Formula: C23H28N4O4
SMILES:   O1CCN(CC1)CCCNC(=O)c1cc2ncn(c2cc1)-c1cc(OC)ccc1OC
InChI:   InChI=1/C23H28N4O4/c1-29-18-5-7-22(30-2)21(15-18)27-16-25-19-14-17(4-6-20(19)27)23(28)24-8-3-9-26-10-12-31-13-11-26/h4-7,14-16H,3,8-13H2,1-2H3,(H,24,28)

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)=123.687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.501 g/mol  logS: -4.16048  SlogP: 2.4948  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557099  Sterimol/B1: 2.36755  Sterimol/B2: 2.38799  Sterimol/B3: 7.42373
  Sterimol/B4: 8.127  Sterimol/L: 21.9709 
 
 Surface and Volume Properties
  Accessible surface: 749.679  Positive charged surface: 587.357  Negative charged surface: 162.321  Volume: 410.75
  Hydrophobic surface: 648.284  Hydrophilic surface: 101.395
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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


MMs00892434
CHEMDIV-ZINC02926153