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


ENAMINE-ZINC06588608

 MMsINC code: MMs01679657
Type: Neutral
Formula: C23H29NO5
SMILES:   O(CC)c1cc(NC(=O)c2ccc(cc2C(C)C)C(C)C)c(cc1OC)C(O)=O
InChI:   InChI=1/C23H29NO5/c1-7-29-21-12-19(18(23(26)27)11-20(21)28-6)24-22(25)16-9-8-15(13(2)3)10-17(16)14(4)5/h8-14H,7H2,1-6H3,(H,24,25)(H,26,27)

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)=121.295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 399.487 g/mol  logS: -6.76096  SlogP: 5.2912  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133324  Sterimol/B1: 2.37381  Sterimol/B2: 3.08177  Sterimol/B3: 6.69734
  Sterimol/B4: 10.4201  Sterimol/L: 18.2347 
 
 Surface and Volume Properties
  Accessible surface: 716.047  Positive charged surface: 515.332  Negative charged surface: 200.715  Volume: 398.625
  Hydrophobic surface: 502.694  Hydrophilic surface: 213.353
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01679658
ENAMINE-ZINC06588608