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


AURORAFEINCHEMIE-ZINC03249121

 MMsINC code: MMs00455787
Type: Neutral
Formula: C23H26N2O4
SMILES:   O(C(=O)C(NC(=O)c1ccccc1)C(C)C)CC(=O)N1CCc2c(C1)cccc2
InChI:   InChI=1/C23H26N2O4/c1-16(2)21(24-22(27)18-9-4-3-5-10-18)23(28)29-15-20(26)25-13-12-17-8-6-7-11-19(17)14-25/h3-11,16,21H,12-15H2,1-2H3,(H,24,27)/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)=99.4667 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.471 g/mol  logS: -4.68828  SlogP: 2.83547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0481834  Sterimol/B1: 2.3833  Sterimol/B2: 4.07014  Sterimol/B3: 5.84419
  Sterimol/B4: 6.52326  Sterimol/L: 20.3505 
 
 Surface and Volume Properties
  Accessible surface: 687.244  Positive charged surface: 423.597  Negative charged surface: 263.647  Volume: 386.375
  Hydrophobic surface: 560.042  Hydrophilic surface: 127.202
 
 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.