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


CHEMBRIDGE-ZINC04844728

 MMsINC code: MMs00801085
Type: Neutral
Formula: C26H29NO2
SMILES:   Oc1ccc(cc1)CC(C(=O)NCc1ccc(cc1)C(C)(C)C)c1ccccc1
InChI:   InChI=1/C26H29NO2/c1-26(2,3)22-13-9-20(10-14-22)18-27-25(29)24(21-7-5-4-6-8-21)17-19-11-15-23(28)16-12-19/h4-16,24,28H,17-18H2,1-3H3,(H,27,29)/t24-/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)=96.6799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 387.523 g/mol  logS: -6.72194  SlogP: 5.59877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.086539  Sterimol/B1: 3.49919  Sterimol/B2: 3.80873  Sterimol/B3: 4.54926
  Sterimol/B4: 6.7878  Sterimol/L: 19.8162 
 
 Surface and Volume Properties
  Accessible surface: 701.479  Positive charged surface: 444.819  Negative charged surface: 256.66  Volume: 411.125
  Hydrophobic surface: 559.627  Hydrophilic surface: 141.852
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.