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


AURORAFEINCHEMIE-ZINC05489370

 MMsINC code: MMs00475893
Type: Neutral
Formula: C24H24N2O5
SMILES:   O1CCCOc2c1cc1c(CCN(C(=O)C(N3C(=O)c4c(cccc4)C3=O)C)C1C)c2
InChI:   InChI=1/C24H24N2O5/c1-14-19-13-21-20(30-10-5-11-31-21)12-16(19)8-9-25(14)22(27)15(2)26-23(28)17-6-3-4-7-18(17)24(26)29/h3-4,6-7,12-15H,5,8-11H2,1-2H3/t14-,15+/m1/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)=112.792 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 420.465 g/mol  logS: -5.05887  SlogP: 3.07377  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10251  Sterimol/B1: 2.23496  Sterimol/B2: 2.41222  Sterimol/B3: 6.31559
  Sterimol/B4: 6.98012  Sterimol/L: 18.9045 
 
 Surface and Volume Properties
  Accessible surface: 662.337  Positive charged surface: 424.3  Negative charged surface: 238.037  Volume: 388.125
  Hydrophobic surface: 518.847  Hydrophilic surface: 143.49
 
 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: no related molecules available.