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


CHEMDIV-ZINC00219790

 MMsINC code: MMs00843054
Type: Neutral
Formula: C17H28N2O2
SMILES:   O=C1N(C(CC1)C(=O)NC1CCCCC1)C1CCCCC1
InChI:   InChI=1/C17H28N2O2/c20-16-12-11-15(19(16)14-9-5-2-6-10-14)17(21)18-13-7-3-1-4-8-13/h13-15H,1-12H2,(H,18,21)/t15-/m1/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)=34.7672 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.423 g/mol  logS: -3.0045  SlogP: 2.759  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0749289  Sterimol/B1: 3.16498  Sterimol/B2: 3.22626  Sterimol/B3: 3.40923
  Sterimol/B4: 6.94858  Sterimol/L: 15.0715 
 
 Surface and Volume Properties
  Accessible surface: 551.795  Positive charged surface: 426.115  Negative charged surface: 125.679  Volume: 305.125
  Hydrophobic surface: 502.522  Hydrophilic surface: 49.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.