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


ENAMINE-ZINC03453330

 MMsINC code: MMs01452141
Type: Neutral
Formula: C23H29NO6
SMILES:   O(C)c1c(OC)cc(cc1OC)CC(OCC(=O)Nc1ccc(cc1)C(CC)C)=O
InChI:   InChI=1/C23H29NO6/c1-6-15(2)17-7-9-18(10-8-17)24-21(25)14-30-22(26)13-16-11-19(27-3)23(29-5)20(12-16)28-4/h7-12,15H,6,13-14H2,1-5H3,(H,24,25)/t15-/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)=134.077 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 415.486 g/mol  logS: -5.99523  SlogP: 3.95027  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0221147  Sterimol/B1: 3.31908  Sterimol/B2: 3.73869  Sterimol/B3: 5.06481
  Sterimol/B4: 6.77992  Sterimol/L: 24.1675 
 
 Surface and Volume Properties
  Accessible surface: 761.011  Positive charged surface: 585.583  Negative charged surface: 175.428  Volume: 409.875
  Hydrophobic surface: 617.472  Hydrophilic surface: 143.539
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.