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


CHEMBLOCK-ZINC01438415

 MMsINC code: MMs00525702
Type: Neutral
Formula: C23H25NO4
SMILES:   O=C1C(C(=O)c2ccccc2)C(N(CC(O)C)C1=O)c1ccc(cc1)C(C)C
InChI:   InChI=1/C23H25NO4/c1-14(2)16-9-11-17(12-10-16)20-19(21(26)18-7-5-4-6-8-18)22(27)23(28)24(20)13-15(3)25/h4-12,14-15,19-20,25H,13H2,1-3H3/t15-,19+,20-/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)=85.5712 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 379.456 g/mol  logS: -5.38997  SlogP: 3.2378  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129508  Sterimol/B1: 3.78206  Sterimol/B2: 4.07667  Sterimol/B3: 4.52156
  Sterimol/B4: 9.28449  Sterimol/L: 15.9701 
 
 Surface and Volume Properties
  Accessible surface: 651.278  Positive charged surface: 381.775  Negative charged surface: 269.504  Volume: 373.875
  Hydrophobic surface: 465.561  Hydrophilic surface: 185.717
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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


MMs00525704
CHEMBLOCK-ZINC01438415


MMs00525703
CHEMBLOCK-ZINC01438415


MMs00525705
CHEMBLOCK-ZINC01438415