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


ENAMINE-ZINC03326726

 MMsINC code: MMs01373751
Type: Neutral
Formula: C19H28N2O2
SMILES:   O=C(CN1CCC(CC1)C)c1ccc(NC(=O)CC(C)C)cc1
InChI:   InChI=1/C19H28N2O2/c1-14(2)12-19(23)20-17-6-4-16(5-7-17)18(22)13-21-10-8-15(3)9-11-21/h4-7,14-15H,8-13H2,1-3H3,(H,20,23)

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)=81.4881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 316.445 g/mol  logS: -4.29871  SlogP: 3.5858  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0240758  Sterimol/B1: 2.85303  Sterimol/B2: 3.22395  Sterimol/B3: 3.54454
  Sterimol/B4: 5.21438  Sterimol/L: 20.8713 
 
 Surface and Volume Properties
  Accessible surface: 615.284  Positive charged surface: 450.522  Negative charged surface: 164.761  Volume: 334.375
  Hydrophobic surface: 493.1  Hydrophilic surface: 122.184
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs01373752
ENAMINE-ZINC03326726