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


AURORAFEINCHEMIE-ZINC05203001

 MMsINC code: MMs00472748
Type: Neutral
Formula: C24H30N2O4
SMILES:   O(C)c1ccc(cc1)CCNC(=O)C1N(Cc2c(C1)cccc2)C(OC(C)(C)C)=O
InChI:   InChI=1/C24H30N2O4/c1-24(2,3)30-23(28)26-16-19-8-6-5-7-18(19)15-21(26)22(27)25-14-13-17-9-11-20(29-4)12-10-17/h5-12,21H,13-16H2,1-4H3,(H,25,27)/t21-/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)=121.452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.514 g/mol  logS: -4.71966  SlogP: 3.98224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.052633  Sterimol/B1: 2.14812  Sterimol/B2: 3.64788  Sterimol/B3: 5.41963
  Sterimol/B4: 9.28467  Sterimol/L: 20.5897 
 
 Surface and Volume Properties
  Accessible surface: 738.054  Positive charged surface: 506.258  Negative charged surface: 231.796  Volume: 408.125
  Hydrophobic surface: 630.63  Hydrophilic surface: 107.424
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.