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


ENAMINE-ZINC03531988

 MMsINC code: MMs01494229
Type: Neutral
Formula: C16H25N3O3
SMILES:   O=C1N(CC(=O)NC2CCCC2)C(=O)NC1C1CCCCC1
InChI:   InChI=1/C16H25N3O3/c20-13(17-12-8-4-5-9-12)10-19-15(21)14(18-16(19)22)11-6-2-1-3-7-11/h11-12,14H,1-10H2,(H,17,20)(H,18,22)/t14-/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)=16.4865 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.394 g/mol  logS: -3.33735  SlogP: 1.5459  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0821759  Sterimol/B1: 2.47256  Sterimol/B2: 3.32036  Sterimol/B3: 4.2708
  Sterimol/B4: 6.47457  Sterimol/L: 16.2266 
 
 Surface and Volume Properties
  Accessible surface: 557.169  Positive charged surface: 417.352  Negative charged surface: 139.817  Volume: 300.125
  Hydrophobic surface: 425.631  Hydrophilic surface: 131.538
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.