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


ENAMINE-ZINC02631470

 MMsINC code: MMs01262599
Type: Neutral
Formula: C17H26N4O4
SMILES:   O=C1N(CC(=O)N2CCN(CC2)C(=O)C)C(=O)NC1C1CCCCC1
InChI:   InChI=1/C17H26N4O4/c1-12(22)19-7-9-20(10-8-19)14(23)11-21-16(24)15(18-17(21)25)13-5-3-2-4-6-13/h13,15H,2-11H2,1H3,(H,18,25)/t15-/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)=41.68 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.419 g/mol  logS: -2.49822  SlogP: 0.1778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473434  Sterimol/B1: 2.85889  Sterimol/B2: 3.84967  Sterimol/B3: 4.05674
  Sterimol/B4: 5.69417  Sterimol/L: 17.8938 
 
 Surface and Volume Properties
  Accessible surface: 584.04  Positive charged surface: 431.768  Negative charged surface: 152.272  Volume: 329.375
  Hydrophobic surface: 427.528  Hydrophilic surface: 156.512
 
 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.