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


MDPI-ZINC04267859

 MMsINC code: MMs02186293
Type: Neutral
Formula: C29H30N2O4
SMILES:   O(CCN1CCN(CC1)C(=O)c1ccc(OC)cc1)c1ccc(cc1)\C=C/C(=O)c1ccccc1
InChI:   InChI=1/C29H30N2O4/c1-34-26-14-10-25(11-15-26)29(33)31-19-17-30(18-20-31)21-22-35-27-12-7-23(8-13-27)9-16-28(32)24-5-3-2-4-6-24/h2-16H,17-22H2,1H3/b16-9-

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)=199.97 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.569 g/mol  logS: -5.94548  SlogP: 4.4281  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0433203  Sterimol/B1: 2.48112  Sterimol/B2: 3.75527  Sterimol/B3: 4.15144
  Sterimol/B4: 8.71917  Sterimol/L: 24.4198 
 
 Surface and Volume Properties
  Accessible surface: 826.348  Positive charged surface: 553.678  Negative charged surface: 272.671  Volume: 464.75
  Hydrophobic surface: 762.98  Hydrophilic surface: 63.368
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02186294
MDPI-ZINC04267859