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


CHEMDIV-ZINC02497031

 MMsINC code: MMs00881736
Type: Neutral
Formula: C20H34N2O4
SMILES:   O1CCOC12CCN(CC2)C(=O)C(NC(=O)C1CCCCC1)CC(C)C
InChI:   InChI=1/C20H34N2O4/c1-15(2)14-17(21-18(23)16-6-4-3-5-7-16)19(24)22-10-8-20(9-11-22)25-12-13-26-20/h15-17H,3-14H2,1-2H3,(H,21,23)/t17-/m0/s1

Download   format file 
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)=66.972 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.502 g/mol  logS: -4.28609  SlogP: 2.4631  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895844  Sterimol/B1: 2.06776  Sterimol/B2: 3.03362  Sterimol/B3: 4.75108
  Sterimol/B4: 7.83698  Sterimol/L: 18.0758 
 
 Surface and Volume Properties
  Accessible surface: 639.832  Positive charged surface: 508.089  Negative charged surface: 131.743  Volume: 371.25
  Hydrophobic surface: 543.651  Hydrophilic surface: 96.181
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.