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


CHEMBRIDGE-ZINC04833791

 MMsINC code: MMs00795868
Type: Neutral
Formula: C24H26N2O3
SMILES:   O=C1N(CCCCCC(=O)Nc2c3CCCCc3ccc2)C(=O)c2c1cccc2
InChI:   InChI=1/C24H26N2O3/c27-22(25-21-14-8-10-17-9-3-4-11-18(17)21)15-2-1-7-16-26-23(28)19-12-5-6-13-20(19)24(26)29/h5-6,8,10,12-14H,1-4,7,9,11,15-16H2,(H,25,27)

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)=65.3181 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.483 g/mol  logS: -5.98118  SlogP: 4.36044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0334111  Sterimol/B1: 2.80877  Sterimol/B2: 4.73436  Sterimol/B3: 5.04412
  Sterimol/B4: 5.53903  Sterimol/L: 22.2347 
 
 Surface and Volume Properties
  Accessible surface: 706.501  Positive charged surface: 458.745  Negative charged surface: 247.755  Volume: 385.25
  Hydrophobic surface: 596.826  Hydrophilic surface: 109.675
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.