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


AURORAFEINCHEMIE-ZINC03517858

 MMsINC code: MMs00456432
Type: Neutral
Formula: C24H30N2O3
SMILES:   O(CC)c1ccc(cc1)C(=O)NC(C(C)C)C(=O)NC1CCCc2c1cccc2
InChI:   InChI=1/C24H30N2O3/c1-4-29-19-14-12-18(13-15-19)23(27)26-22(16(2)3)24(28)25-21-11-7-9-17-8-5-6-10-20(17)21/h5-6,8,10,12-16,21-22H,4,7,9,11H2,1-3H3,(H,25,28)(H,26,27)/t21-,22-/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)=101.11 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.515 g/mol  logS: -5.48068  SlogP: 4.12897  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0903996  Sterimol/B1: 2.86741  Sterimol/B2: 3.6484  Sterimol/B3: 5.13319
  Sterimol/B4: 7.70921  Sterimol/L: 19.8891 
 
 Surface and Volume Properties
  Accessible surface: 692.608  Positive charged surface: 452.179  Negative charged surface: 240.429  Volume: 400.5
  Hydrophobic surface: 571.754  Hydrophilic surface: 120.854
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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: no related molecules available.