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


ENAMINE-ZINC05341693

 MMsINC code: MMs01607913
Type: Neutral
Formula: C16H25N3O3
SMILES:   O=C1N(C(C(=O)N2CCCCC2)C)C(=O)NC12CCCCC2
InChI:   InChI=1/C16H25N3O3/c1-12(13(20)18-10-6-3-7-11-18)19-14(21)16(17-15(19)22)8-4-2-5-9-16/h12H,2-11H2,1H3,(H,17,22)/t12-/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)=33.3829 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.394 g/mol  logS: -2.65357  SlogP: 1.6421  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0889395  Sterimol/B1: 2.17534  Sterimol/B2: 3.64419  Sterimol/B3: 4.27797
  Sterimol/B4: 6.71371  Sterimol/L: 15.5507 
 
 Surface and Volume Properties
  Accessible surface: 538.784  Positive charged surface: 390.85  Negative charged surface: 147.935  Volume: 294.875
  Hydrophobic surface: 426.298  Hydrophilic surface: 112.486
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.