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


ENAMINE-ZINC04870466

 MMsINC code: MMs01560642
Type: Neutral
Formula: C23H27NO6
SMILES:   O(C)c1cc(OC)c(OC)cc1C(OC(C(=O)NC1CCCc2c1cccc2)C)=O
InChI:   InChI=1/C23H27NO6/c1-14(22(25)24-18-11-7-9-15-8-5-6-10-16(15)18)30-23(26)17-12-20(28-3)21(29-4)13-19(17)27-2/h5-6,8,10,12-14,18H,7,9,11H2,1-4H3,(H,24,25)/t14-,18-/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)=126.293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.47 g/mol  logS: -5.08629  SlogP: 3.54697  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0557753  Sterimol/B1: 2.03481  Sterimol/B2: 4.36825  Sterimol/B3: 6.18126
  Sterimol/B4: 7.34989  Sterimol/L: 19.4739 
 
 Surface and Volume Properties
  Accessible surface: 712.144  Positive charged surface: 535.565  Negative charged surface: 176.578  Volume: 395.125
  Hydrophobic surface: 612.708  Hydrophilic surface: 99.436
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.