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


CHEMDIV-ZINC02964884

 MMsINC code: MMs00899142
Type: Neutral
Formula: C19H33N3O2
SMILES:   O=C1N(C(CC1)C(=O)NCCCN1CCCCCC1)C1CCCC1
InChI:   InChI=1/C19H33N3O2/c23-18-11-10-17(22(18)16-8-3-4-9-16)19(24)20-12-7-15-21-13-5-1-2-6-14-21/h16-17H,1-15H2,(H,20,24)/t17-/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)=61.8376 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 335.492 g/mol  logS: -2.07372  SlogP: 2.3023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0389092  Sterimol/B1: 2.75853  Sterimol/B2: 4.05482  Sterimol/B3: 4.24673
  Sterimol/B4: 4.94356  Sterimol/L: 19.2661 
 
 Surface and Volume Properties
  Accessible surface: 633.039  Positive charged surface: 509.946  Negative charged surface: 123.093  Volume: 354.5
  Hydrophobic surface: 583.034  Hydrophilic surface: 50.005
 
 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


MMs00899143
CHEMDIV-ZINC02964884