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


PUBCHEM-ZINC05884088

 MMsINC code: MMs03427854
Type: Neutral
Formula: C24H28N2O4
SMILES:   O(C)c1cc(ccc1)C(=O)C1C(N(CCCN(C)C)C(=O)C1=O)c1ccc(cc1)C
InChI:   InChI=1/C24H28N2O4/c1-16-9-11-17(12-10-16)21-20(22(27)18-7-5-8-19(15-18)30-4)23(28)24(29)26(21)14-6-13-25(2)3/h5,7-12,15,20-21H,6,13-14H2,1-4H3/t20-,21-/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)=100.205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.498 g/mol  logS: -4.3849  SlogP: 3.00232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1065  Sterimol/B1: 2.30824  Sterimol/B2: 4.20358  Sterimol/B3: 4.82062
  Sterimol/B4: 9.27833  Sterimol/L: 18.9226 
 
 Surface and Volume Properties
  Accessible surface: 686.285  Positive charged surface: 497.088  Negative charged surface: 189.197  Volume: 404.125
  Hydrophobic surface: 573.873  Hydrophilic surface: 112.412
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs03427855
PUBCHEM-ZINC05884088