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


MDPI-ZINC04292834

 MMsINC code: MMs02186977
Type: Neutral
Formula: C24H30N4O4
SMILES:   O(CCCC)c1ccc(cc1)\C=N\NC(=O)C(=O)N\N=C\c1ccc(OCCCC)cc1
InChI:   InChI=1/C24H30N4O4/c1-3-5-15-31-21-11-7-19(8-12-21)17-25-27-23(29)24(30)28-26-18-20-9-13-22(14-10-20)32-16-6-4-2/h7-14,17-18H,3-6,15-16H2,1-2H3,(H,27,29)(H,28,30)/b25-17+,26-18+

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)=128.516 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.528 g/mol  logS: -6.13912  SlogP: 3.6448  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0026551  Sterimol/B1: 2.37523  Sterimol/B2: 2.37637  Sterimol/B3: 3.93105
  Sterimol/B4: 6.75022  Sterimol/L: 30.6884 
 
 Surface and Volume Properties
  Accessible surface: 857.744  Positive charged surface: 575.444  Negative charged surface: 282.301  Volume: 439.875
  Hydrophobic surface: 630.375  Hydrophilic surface: 227.369
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: no related molecules available.